CID 489163

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

Structural Information

Molecular Formula
C28H24BrN5O3
SMILES
C1COCCN1CN2C3=CC=CC=C3C(=C2O)N=NC(=O)C4=C(C5=C(N4)C=CC(=C5)Br)C6=CC=CC=C6
InChI
InChI=1S/C28H24BrN5O3/c29-19-10-11-22-21(16-19)24(18-6-2-1-3-7-18)26(30-22)27(35)32-31-25-20-8-4-5-9-23(20)34(28(25)36)17-33-12-14-37-15-13-33/h1-11,16,30,36H,12-15,17H2
InChIKey
FOACRUALAMIWHJ-UHFFFAOYSA-N
Compound name
5-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.10626 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.11354 223.4
[M+Na]+ 580.09548 232.0
[M-H]- 556.09898 237.3
[M+NH4]+ 575.14008 230.8
[M+K]+ 596.06942 220.6
[M+H-H2O]+ 540.10352 218.9
[M+HCOO]- 602.10446 239.3
[M+CH3COO]- 616.12011 232.2
[M+Na-2H]- 578.08093 224.3
[M]+ 557.10571 242.6
[M]- 557.10681 242.6
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.