CID 457291

N-[(4-phenylphenyl)methyl]-1,2,4-triazol-1-amine

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CNN3C=NC=N3
InChI
InChI=1S/C15H14N4/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)10-17-19-12-16-11-18-19/h1-9,11-12,17H,10H2
InChIKey
KBCQNMBJORWTPE-UHFFFAOYSA-N
Compound name
N-[(4-phenylphenyl)methyl]-1,2,4-triazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.12184 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12912 155.1
[M+Na]+ 273.11106 162.7
[M-H]- 249.11456 160.9
[M+NH4]+ 268.15566 169.0
[M+K]+ 289.08500 157.2
[M+H-H2O]+ 233.11910 144.3
[M+HCOO]- 295.12004 178.3
[M+CH3COO]- 309.13569 166.7
[M+Na-2H]- 271.09651 162.3
[M]+ 250.12129 153.9
[M]- 250.12239 153.9
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.