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 157.6
[M+Na]+ 273.11106 172.7
[M+NH4]+ 268.15566 165.7
[M+K]+ 289.08500 166.5
[M-H]- 249.11456 163.1
[M+Na-2H]- 271.09651 168.7
[M]+ 250.12129 161.3
[M]- 250.12239 161.3
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