CID 489168

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

Structural Information

Molecular Formula
C36H26BrN5O2
SMILES
C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Br)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN(C6=CC=CC=C6)C7=CC=CC=C7)O
InChI
InChI=1S/C36H26BrN5O2/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
WUGHNSSZHUTPBG-UHFFFAOYSA-N
Compound name
5-bromo-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

639.127 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.13428 243.7
[M+Na]+ 662.11622 250.8
[M-H]- 638.11972 261.7
[M+NH4]+ 657.16082 249.6
[M+K]+ 678.09016 238.8
[M+H-H2O]+ 622.12426 237.5
[M+HCOO]- 684.12520 264.2
[M+CH3COO]- 698.14085 251.5
[M+Na-2H]- 660.10167 245.2
[M]+ 639.12645 263.8
[M]- 639.12755 263.8
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.