CID 327263

2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C11H8N4
SMILES
C1=CC=C(C=C1)C2=NN3C=CC=NC3=N2
InChI
InChI=1S/C11H8N4/c1-2-5-9(6-3-1)10-13-11-12-7-4-8-15(11)14-10/h1-8H
InChIKey
XTCYBBUYBQFNEI-UHFFFAOYSA-N
Compound name
2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

196.07489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.082166 139.9
[M+Na]+ 219.064108 151.4
[M-H]- 195.067614 142.9
[M+NH4]+ 214.108713 156.5
[M+K]+ 235.038048 146.4
[M+H-H2O]+ 179.072150 130.1
[M+HCOO]- 241.073091 161.9
[M+CH3COO]- 255.088741 153.2
[M+Na-2H]- 217.049556 150.0
[M]+ 196.07434142 141.3
[M]- 196.07543858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe