CID 489172

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

Structural Information

Molecular Formula
C26H22ClN5O2
SMILES
CN(C)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C26H22ClN5O2/c1-31(2)15-32-21-11-7-6-10-18(21)23(26(32)34)29-30-25(33)24-22(16-8-4-3-5-9-16)19-14-17(27)12-13-20(19)28-24/h3-14,28,34H,15H2,1-2H3
InChIKey
NVDSOTXQLMXBEO-UHFFFAOYSA-N
Compound name
5-chloro-N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.1462 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.15348 213.8
[M+Na]+ 494.13542 223.7
[M-H]- 470.13892 226.0
[M+NH4]+ 489.18002 225.4
[M+K]+ 510.10936 216.7
[M+H-H2O]+ 454.14346 203.6
[M+HCOO]- 516.14440 234.9
[M+CH3COO]- 530.16005 223.7
[M+Na-2H]- 492.12087 215.4
[M]+ 471.14565 222.2
[M]- 471.14675 222.2
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.