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

10
Patents

196.07489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08217 139.9
[M+Na]+ 219.06411 151.4
[M-H]- 195.06761 142.9
[M+NH4]+ 214.10871 156.5
[M+K]+ 235.03805 146.4
[M+H-H2O]+ 179.07215 130.1
[M+HCOO]- 241.07309 161.9
[M+CH3COO]- 255.08874 153.2
[M+Na-2H]- 217.04956 150.0
[M]+ 196.07434 141.3
[M]- 196.07544 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