CID 135599720

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

Structural Information

Molecular Formula
C28H24ClN5O5
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.1466 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.15388 228.0
[M+Na]+ 568.13582 244.1
[M+NH4]+ 563.18042 233.7
[M+K]+ 584.10976 239.8
[M-H]- 544.13932 238.1
[M+Na-2H]- 566.12127 235.2
[M]+ 545.14605 233.5
[M]- 545.14715 233.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.