PubChemLite - Acetic acid, (4-(2-benzoxazoyl)phenoxy)-, (5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3h-indol-3-ylidene)hydrazide (C28H24ClN5O5)

Structural Information

Molecular Formula

SMILES

C1COCCN1CN2C3=C(C=C(C=C3)Cl)C(=C2O)N=NC(=O)COC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C28H24ClN5O5/c29-19-7-10-23-21(15-19)26(28(36)34(23)17-33-11-13-37-14-12-33)32-31-25(35)16-38-20-8-5-18(6-9-20)27-30-22-3-1-2-4-24(22)39-27/h1-10,15,36H,11-14,16-17H2

InChIKey

MTGKHDVGNQYLCP-UHFFFAOYSA-N

Compound name

2-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-[5-chloro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	546.15388	226.3
[M+Na]+	568.13582	234.2
[M-H]-	544.13932	240.2
[M+NH4]+	563.18042	230.0
[M+K]+	584.10976	230.6
[M+H-H2O]+	528.14386	214.3
[M+HCOO]-	590.14480	240.4
[M+CH3COO]-	604.16045	234.1
[M+Na-2H]-	566.12127	226.7
[M]+	545.14605	235.0
[M]-	545.14715	235.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

546.15388

226.3

[M+Na]+

568.13582

234.2

[M-H]-

544.13932

240.2

[M+NH4]+

563.18042

230.0

[M+K]+

584.10976

230.6

[M+H-H2O]+

528.14386

214.3

[M+HCOO]-

590.14480

240.4

[M+CH3COO]-

604.16045

234.1

[M+Na-2H]-

566.12127

226.7

[M]+

545.14605

235.0

[M]-

545.14715

235.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Acetic acid, (4-(2-benzoxazoyl)phenoxy)-, (5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3h-indol-3-ylidene)hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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