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

2
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

No literature data available for this compound.

Patent stripe

patents stripe