CID 489151

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

Structural Information

Molecular Formula
C29H27N5O3
SMILES
CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN6CCOCC6)O
InChI
InChI=1S/C29H27N5O3/c1-19-11-12-23-22(17-19)25(20-7-3-2-4-8-20)27(30-23)28(35)32-31-26-21-9-5-6-10-24(21)34(29(26)36)18-33-13-15-37-16-14-33/h2-12,17,30,36H,13-16,18H2,1H3
InChIKey
JJULZLDSZLJCBM-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(morpholin-4-ylmethyl)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

493.2114 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.21868 216.2
[M+Na]+ 516.20062 223.0
[M-H]- 492.20412 228.4
[M+NH4]+ 511.24522 222.0
[M+K]+ 532.17456 216.7
[M+H-H2O]+ 476.20866 204.3
[M+HCOO]- 538.20960 234.0
[M+CH3COO]- 552.22525 223.8
[M+Na-2H]- 514.18607 216.1
[M]+ 493.21085 217.9
[M]- 493.21195 217.9
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.