CID 3053682

Brn 0525124

Structural Information

Molecular Formula
C14H12N4
SMILES
CC1=C(N=NN1C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H12N4/c1-11-14(12-5-3-2-4-6-12)16-17-18(11)13-7-9-15-10-8-13/h2-10H,1H3
InChIKey
DCMJPIFUQXAYBV-UHFFFAOYSA-N
Compound name
4-(5-methyl-4-phenyltriazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.1062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11348 153.3
[M+Na]+ 259.09542 170.0
[M+NH4]+ 254.14002 161.4
[M+K]+ 275.06936 163.6
[M-H]- 235.09892 157.9
[M+Na-2H]- 257.08087 164.9
[M]+ 236.10565 157.1
[M]- 236.10675 157.1
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.