CID 49837517

3-(1-benzyl-1h-1,2,3-triazol-4-yl)aniline

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C(C=C1)CN2C=C(N=N2)C3=CC(=CC=C3)N
InChI
InChI=1S/C15H14N4/c16-14-8-4-7-13(9-14)15-11-19(18-17-15)10-12-5-2-1-3-6-12/h1-9,11H,10,16H2
InChIKey
BREZWJGDRJPRCX-UHFFFAOYSA-N
Compound name
3-(1-benzyltriazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

250.12184 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12912 156.4
[M+Na]+ 273.11106 164.9
[M-H]- 249.11456 162.1
[M+NH4]+ 268.15566 170.3
[M+K]+ 289.08500 159.0
[M+H-H2O]+ 233.11910 145.9
[M+HCOO]- 295.12004 179.0
[M+CH3COO]- 309.13569 168.1
[M+Na-2H]- 271.09651 161.8
[M]+ 250.12129 154.7
[M]- 250.12239 154.7
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