CID 135770326

Brn 5993717

Structural Information

Molecular Formula
C22H19N5
SMILES
CC1=CC=CC=C1N=N/C(=N\NC2=CC=CC=C2)/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H19N5/c1-16-9-5-7-13-20(16)25-27-22(26-24-17-10-3-2-4-11-17)19-15-23-21-14-8-6-12-18(19)21/h2-15,23-24H,1H3/b26-22-,27-25?
InChIKey
HDJFEOBMKGRYBE-RKJZFJJQSA-N
Compound name
N'-anilino-N-(2-methylphenyl)imino-1H-indole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16403 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17131 180.5
[M+Na]+ 376.15325 186.8
[M-H]- 352.15675 192.6
[M+NH4]+ 371.19785 194.3
[M+K]+ 392.12719 180.7
[M+H-H2O]+ 336.16129 169.3
[M+HCOO]- 398.16223 210.4
[M+CH3COO]- 412.17788 191.6
[M+Na-2H]- 374.13870 188.9
[M]+ 353.16348 180.8
[M]- 353.16458 180.8
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.