PubChemLite - 81820-13-5 (C23H24ClN5O5)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=C(C=C1)OCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Cl)CN4CCOCC4)O

InChI

InChI=1S/C23H24ClN5O5/c1-15(30)25-17-3-5-18(6-4-17)34-13-21(31)26-27-22-19-12-16(24)2-7-20(19)29(23(22)32)14-28-8-10-33-11-9-28/h2-7,12,32H,8-11,13-14H2,1H3,(H,25,30)

InChIKey

MVGPITFMJAHKAY-UHFFFAOYSA-N

Compound name

2-(4-acetamidophenoxy)-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]+	486.15388	213.6
[M+Na]+	508.13582	219.0
[M-H]-	484.13932	223.5
[M+NH4]+	503.18042	219.8
[M+K]+	524.10976	215.8
[M+H-H2O]+	468.14386	202.5
[M+HCOO]-	530.14480	229.5
[M+CH3COO]-	544.16045	244.3
[M+Na-2H]-	506.12127	214.8
[M]+	485.14605	219.2
[M]-	485.14715	219.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.15388

213.6

[M+Na]+

508.13582

219.0

[M-H]-

484.13932

223.5

[M+NH4]+

503.18042

219.8

[M+K]+

524.10976

215.8

[M+H-H2O]+

468.14386

202.5

[M+HCOO]-

530.14480

229.5

[M+CH3COO]-

544.16045

244.3

[M+Na-2H]-

506.12127

214.8

[M]+

485.14605

219.2

[M]-

485.14715

219.2

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

81820-13-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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