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 153.1
[M+Na]+ 259.09542 163.0
[M-H]- 235.09892 158.0
[M+NH4]+ 254.14002 166.8
[M+K]+ 275.06936 157.4
[M+H-H2O]+ 219.10346 142.1
[M+HCOO]- 281.10440 174.1
[M+CH3COO]- 295.12005 165.1
[M+Na-2H]- 257.08087 159.1
[M]+ 236.10565 153.0
[M]- 236.10675 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.