CID 489154

N-(aza{1-[(dimethylamino)methyl]-2-oxoindolin-3-ylidene}methyl)(5-methyl-3-phenylindol-2-yl)carboxamide

Structural Information

Molecular Formula
C27H25N5O2
SMILES
CC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3)C(=O)N=NC4=C(N(C5=CC=CC=C54)CN(C)C)O
InChI
InChI=1S/C27H25N5O2/c1-17-13-14-21-20(15-17)23(18-9-5-4-6-10-18)25(28-21)26(33)30-29-24-19-11-7-8-12-22(19)32(27(24)34)16-31(2)3/h4-15,28,34H,16H2,1-3H3
InChIKey
VWGJQASPOSZSAT-UHFFFAOYSA-N
Compound name
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-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

451.20084 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.20812 209.3
[M+Na]+ 474.19006 218.0
[M-H]- 450.19356 221.7
[M+NH4]+ 469.23466 220.8
[M+K]+ 490.16400 212.1
[M+H-H2O]+ 434.19810 198.8
[M+HCOO]- 496.19904 234.6
[M+CH3COO]- 510.21469 219.4
[M+Na-2H]- 472.17551 211.1
[M]+ 451.20029 215.5
[M]- 451.20139 215.5
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.