CID 489156

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

Structural Information

Molecular Formula
C37H29N5O2
SMILES
CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN(C6=CC=CC=C6)C7=CC=CC=C7)O
InChI
InChI=1S/C37H29N5O2/c1-25-21-22-31-30(23-25)33(26-13-5-2-6-14-26)35(38-31)36(43)40-39-34-29-19-11-12-20-32(29)42(37(34)44)24-41(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-23,38,44H,24H2,1H3
InChIKey
MDACHLKOLHNTHW-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-[(N-phenylanilino)methyl]indol-3-yl]imino-5-methyl-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.2321 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.23938 234.7
[M+Na]+ 598.22132 240.3
[M-H]- 574.22482 251.5
[M+NH4]+ 593.26592 239.1
[M+K]+ 614.19526 232.7
[M+H-H2O]+ 558.22936 221.2
[M+HCOO]- 620.23030 257.6
[M+CH3COO]- 634.24595 241.6
[M+Na-2H]- 596.20677 235.9
[M]+ 575.23155 238.1
[M]- 575.23265 238.1
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.