CID 489174

5-chloro-n-[(e)-[2-oxo-1-[(n-phenylanilino)methyl]indolin-3-ylidene]amino]-3-phenyl-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C36H26ClN5O2
SMILES
C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN(C6=CC=CC=C6)C7=CC=CC=C7)O
InChI
InChI=1S/C36H26ClN5O2/c37-25-20-21-30-29(22-25)32(24-12-4-1-5-13-24)34(38-30)35(43)40-39-33-28-18-10-11-19-31(28)42(36(33)44)23-41(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-22,38,44H,23H2
InChIKey
JKXVCLPMDQNHEB-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-hydroxy-1-[(N-phenylanilino)methyl]indol-3-yl]imino-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

595.1775 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.18478 238.9
[M+Na]+ 618.16672 245.9
[M-H]- 594.17022 255.5
[M+NH4]+ 613.21132 243.6
[M+K]+ 634.14066 237.5
[M+H-H2O]+ 578.17476 225.6
[M+HCOO]- 640.17570 257.9
[M+CH3COO]- 654.19135 245.9
[M+Na-2H]- 616.15217 240.0
[M]+ 595.17695 245.0
[M]- 595.17805 245.0
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.