CID 200436

2084-33-5

Structural Information

Molecular Formula
C14H13N4
SMILES
C1=CC=C(C=C1)N[N+]2=CN(N=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H13N4/c1-3-7-13(8-4-1)16-17-11-15-18(12-17)14-9-5-2-6-10-14/h1-12,16H/q+1
InChIKey
WCRXSJMINZDDFF-UHFFFAOYSA-N
Compound name
N,1-diphenyl-1,2,4-triazol-4-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.11403 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12131 152.9
[M+Na]+ 260.10325 160.5
[M-H]- 236.10675 159.1
[M+NH4]+ 255.14785 167.0
[M+K]+ 276.07719 149.9
[M+H-H2O]+ 220.11129 144.9
[M+HCOO]- 282.11223 176.0
[M+CH3COO]- 296.12788 185.6
[M+Na-2H]- 258.08870 163.0
[M]+ 237.11348 150.1
[M]- 237.11458 150.1
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.