CID 6401302

53684-55-2

Structural Information

Molecular Formula
C14H12N4
SMILES
C1=CC=C(C=C1)C2=NNN=C2NC3=CC=CC=C3
InChI
InChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-14(17-18-16-13)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)
InChIKey
ACLZPKMBZBHXJZ-UHFFFAOYSA-N
Compound name
N,5-diphenyl-2H-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7
Patents

236.1062 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.113476 150.6
[M+Na]+ 259.095418 158.2
[M-H]- 235.098924 155.3
[M+NH4]+ 254.140023 164.4
[M+K]+ 275.069358 152.1
[M+H-H2O]+ 219.103460 140.4
[M+HCOO]- 281.104401 172.7
[M+CH3COO]- 295.120051 162.0
[M+Na-2H]- 257.080866 158.1
[M]+ 236.10565142 147.4
[M]- 236.10674858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe