CID 489159

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

Structural Information

Molecular Formula
C29H27N5O3
SMILES
COC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN6CCCC6)O
InChI
InChI=1S/C29H27N5O3/c1-37-20-13-14-23-22(17-20)25(19-9-3-2-4-10-19)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
WJYSEQZPIREXKS-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)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

493.2114 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.21868 213.0
[M+Na]+ 516.20062 220.0
[M-H]- 492.20412 225.9
[M+NH4]+ 511.24522 222.2
[M+K]+ 532.17456 213.6
[M+H-H2O]+ 476.20866 202.5
[M+HCOO]- 538.20960 234.2
[M+CH3COO]- 552.22525 221.6
[M+Na-2H]- 514.18607 211.2
[M]+ 493.21085 216.8
[M]- 493.21195 216.8
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.