CID 16448740

2-methyl-5-(propan-2-yl)-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C9H12N4O
SMILES
CC1=NC2=NC(=CC(=O)N2N1)C(C)C
InChI
InChI=1S/C9H12N4O/c1-5(2)7-4-8(14)13-9(11-7)10-6(3)12-13/h4-5H,1-3H3,(H,10,11,12)
InChIKey
ZRLXWRPBRRVUPP-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

192.1011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 141.4
[M+Na]+ 215.09032 153.7
[M-H]- 191.09382 140.6
[M+NH4]+ 210.13492 158.5
[M+K]+ 231.06426 149.7
[M+H-H2O]+ 175.09836 133.7
[M+HCOO]- 237.09930 160.6
[M+CH3COO]- 251.11495 182.7
[M+Na-2H]- 213.07577 147.0
[M]+ 192.10055 143.8
[M]- 192.10165 143.8
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

patents stripe