CID 3053682

Pyridine, 4-(5-methyl-4-phenyl-1,2,3-triazol-1-yl)-

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]+ 237.113476 153.1
[M+Na]+ 259.095418 163.0
[M-H]- 235.098924 158.0
[M+NH4]+ 254.140023 166.8
[M+K]+ 275.069358 157.4
[M+H-H2O]+ 219.103460 142.1
[M+HCOO]- 281.104401 174.1
[M+CH3COO]- 295.120051 165.1
[M+Na-2H]- 257.080866 159.1
[M]+ 236.10565142 153.0
[M]- 236.10674858 153.0
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.