CID 200552

2240-97-3

Structural Information

Molecular Formula
C16H17N4
SMILES
CC1=CC(=CC=C1)N[N+]2=CN(N=C2)C3=CC=CC(=C3)C
InChI
InChI=1S/C16H17N4/c1-13-5-3-7-15(9-13)18-19-11-17-20(12-19)16-8-4-6-14(2)10-16/h3-12,18H,1-2H3/q+1
InChIKey
JOXAENDHXCMGQT-UHFFFAOYSA-N
Compound name
N,1-bis(3-methylphenyl)-1,2,4-triazol-4-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14532 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15260 160.1
[M+Na]+ 288.13454 177.7
[M+NH4]+ 283.17914 169.4
[M+K]+ 304.10848 171.8
[M-H]- 264.13804 167.6
[M+Na-2H]- 286.11999 172.2
[M]+ 265.14477 165.2
[M]- 265.14587 165.2
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.