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]+ 368.186976 186.5
[M+Na]+ 390.168918 193.2
[M-H]- 366.172424 198.8
[M+NH4]+ 385.213523 200.0
[M+K]+ 406.142858 186.9
[M+H-H2O]+ 350.176960 175.2
[M+HCOO]- 412.177901 216.0
[M+CH3COO]- 426.193551 197.5
[M+Na-2H]- 388.154366 193.5
[M]+ 367.17915142 187.5
[M]- 367.18024858 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.