CID 71442606

59944-29-5

Structural Information

Molecular Formula
C21H20N4
SMILES
C1=CC=C(C=C1)CN2C(N(C(=N2)C3=CC=CC=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4/c22-25-20(18-12-6-2-7-13-18)23-24(16-17-10-4-1-5-11-17)21(25)19-14-8-3-9-15-19/h1-15,21H,16,22H2
InChIKey
QTTZDRGIELZWQF-UHFFFAOYSA-N
Compound name
2-benzyl-3,5-diphenyl-3H-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1688 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17608 178.8
[M+Na]+ 351.15802 185.8
[M-H]- 327.16152 187.1
[M+NH4]+ 346.20262 189.0
[M+K]+ 367.13196 177.9
[M+H-H2O]+ 311.16606 166.6
[M+HCOO]- 373.16700 199.0
[M+CH3COO]- 387.18265 188.4
[M+Na-2H]- 349.14347 181.5
[M]+ 328.16825 175.4
[M]- 328.16935 175.4
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.