CID 96265

17591-59-2

Structural Information

Molecular Formula
C16H16N4
SMILES
C1=CC=C(C=C1)CC2=NN=C(N2N)CC3=CC=CC=C3
InChI
InChI=1S/C16H16N4/c17-20-15(11-13-7-3-1-4-8-13)18-19-16(20)12-14-9-5-2-6-10-14/h1-10H,11-12,17H2
InChIKey
LEWRWCNIOPKNIL-UHFFFAOYSA-N
Compound name
3,5-dibenzyl-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

264.13748 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14476 160.8
[M+Na]+ 287.12670 168.9
[M-H]- 263.13020 166.3
[M+NH4]+ 282.17130 174.2
[M+K]+ 303.10064 162.7
[M+H-H2O]+ 247.13474 150.1
[M+HCOO]- 309.13568 183.0
[M+CH3COO]- 323.15133 172.0
[M+Na-2H]- 285.11215 165.7
[M]+ 264.13693 159.4
[M]- 264.13803 159.4
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