CID 614297

107518-46-7

Structural Information

Molecular Formula
C13H12N4
SMILES
CC1=CC(=NC2=NC(=NN12)C3=CC=CC=C3)C
InChI
InChI=1S/C13H12N4/c1-9-8-10(2)17-13(14-9)15-12(16-17)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
VTJALUNHFVAURK-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.1062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.113476 150.4
[M+Na]+ 247.095418 162.9
[M-H]- 223.098924 153.9
[M+NH4]+ 242.140023 166.5
[M+K]+ 263.069358 157.3
[M+H-H2O]+ 207.103460 140.7
[M+HCOO]- 269.104401 171.7
[M+CH3COO]- 283.120051 163.5
[M+Na-2H]- 245.080866 157.8
[M]+ 224.10565142 153.3
[M]- 224.10674858 153.3
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

No patent data available for this compound.