CID 489153

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

Structural Information

Molecular Formula
C29H27N5O2
SMILES
CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN6CCCC6)O
InChI
InChI=1S/C29H27N5O2/c1-19-13-14-23-22(17-19)25(20-9-3-2-4-10-20)27(30-23)28(35)32-31-26-21-11-5-6-12-24(21)34(29(26)36)18-33-15-7-8-16-33/h2-6,9-14,17,30,36H,7-8,15-16,18H2,1H3
InChIKey
KHMZWKYDUSOQSK-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(pyrrolidin-1-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

477.21646 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.22374 211.3
[M+Na]+ 500.20568 218.7
[M-H]- 476.20918 224.2
[M+NH4]+ 495.25028 221.3
[M+K]+ 516.17962 211.4
[M+H-H2O]+ 460.21372 200.8
[M+HCOO]- 522.21466 232.4
[M+CH3COO]- 536.23031 220.0
[M+Na-2H]- 498.19113 209.1
[M]+ 477.21591 213.8
[M]- 477.21701 213.8
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.