CID 489162

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

Structural Information

Molecular Formula
C37H29N5O3
SMILES
COC1=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/C37H29N5O3/c1-45-28-21-22-31-30(23-28)33(25-13-5-2-6-14-25)35(38-31)36(43)40-39-34-29-19-11-12-20-32(29)42(37(34)44)24-41(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-23,38,44H,24H2,1H3
InChIKey
DMNCFWYBJPLHKT-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-[(N-phenylanilino)methyl]indol-3-yl]imino-5-methoxy-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.22705 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.23433 236.2
[M+Na]+ 614.21627 241.4
[M-H]- 590.21977 253.1
[M+NH4]+ 609.26087 239.9
[M+K]+ 630.19021 234.8
[M+H-H2O]+ 574.22431 222.6
[M+HCOO]- 636.22525 259.3
[M+CH3COO]- 650.24090 243.0
[M+Na-2H]- 612.20172 237.8
[M]+ 591.22650 240.8
[M]- 591.22760 240.8
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.