CID 135755536

Brn 5998157

Structural Information

Molecular Formula
C23H21N5
SMILES
CC1=CC=CC=C1N/N=C(/C2=CNC3=CC=CC=C32)\N=NC4=CC=CC=C4C
InChI
InChI=1S/C23H21N5/c1-16-9-3-6-12-20(16)25-27-23(28-26-21-13-7-4-10-17(21)2)19-15-24-22-14-8-5-11-18(19)22/h3-15,24-25H,1-2H3/b27-23-,28-26?
InChIKey
VRBCKTFQVCITJF-GYLBWFAQSA-N
Compound name
N'-(2-methylanilino)-N-(2-methylphenyl)imino-1H-indole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1797 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18698 186.5
[M+Na]+ 390.16892 193.2
[M-H]- 366.17242 198.8
[M+NH4]+ 385.21352 200.0
[M+K]+ 406.14286 186.9
[M+H-H2O]+ 350.17696 175.2
[M+HCOO]- 412.17790 216.0
[M+CH3COO]- 426.19355 197.5
[M+Na-2H]- 388.15437 193.5
[M]+ 367.17915 187.5
[M]- 367.18025 187.5
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.