CID 489171

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

Structural Information

Molecular Formula
C28H24ClN5O2
SMILES
C1CCN(C1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)C6=CC=CC=C6
InChI
InChI=1S/C28H24ClN5O2/c29-19-12-13-22-21(16-19)24(18-8-2-1-3-9-18)26(30-22)27(35)32-31-25-20-10-4-5-11-23(20)34(28(25)36)17-33-14-6-7-15-33/h1-5,8-13,16,30,36H,6-7,14-15,17H2
InChIKey
YQBBNOCSVDOKKP-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-hydroxy-1-(pyrrolidin-1-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

497.16187 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.16915 216.6
[M+Na]+ 520.15109 225.3
[M-H]- 496.15459 229.3
[M+NH4]+ 515.19569 226.7
[M+K]+ 536.12503 217.0
[M+H-H2O]+ 480.15913 206.1
[M+HCOO]- 542.16007 233.5
[M+CH3COO]- 556.17572 225.2
[M+Na-2H]- 518.13654 214.2
[M]+ 497.16132 221.3
[M]- 497.16242 221.3
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.