CID 489170

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

Structural Information

Molecular Formula
C29H26ClN5O2
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)C6=CC=CC=C6
InChI
InChI=1S/C29H26ClN5O2/c30-20-13-14-23-22(17-20)25(19-9-3-1-4-10-19)27(31-23)28(36)33-32-26-21-11-5-6-12-24(21)35(29(26)37)18-34-15-7-2-8-16-34/h1,3-6,9-14,17,31,37H,2,7-8,15-16,18H2
InChIKey
XIFUHKFKWFVVLX-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-hydroxy-1-(piperidin-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

511.1775 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.18478 220.7
[M+Na]+ 534.16672 228.3
[M-H]- 510.17022 231.9
[M+NH4]+ 529.21132 228.1
[M+K]+ 550.14066 219.2
[M+H-H2O]+ 494.17476 208.5
[M+HCOO]- 556.17570 234.7
[M+CH3COO]- 570.19135 227.9
[M+Na-2H]- 532.15217 219.9
[M]+ 511.17695 223.1
[M]- 511.17805 223.1
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.