CID 83096125

2-methoxy-5-propyl-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CCCC1=CC(=O)N2C(=N1)N=C(N2)OC
InChI
InChI=1S/C9H12N4O2/c1-3-4-6-5-7(14)13-8(10-6)11-9(12-13)15-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKey
ZYWIIMQDWRUACC-UHFFFAOYSA-N
Compound name
2-methoxy-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.103296 144.1
[M+Na]+ 231.085238 156.5
[M-H]- 207.088744 143.2
[M+NH4]+ 226.129843 160.5
[M+K]+ 247.059178 152.6
[M+H-H2O]+ 191.093280 136.0
[M+HCOO]- 253.094221 164.4
[M+CH3COO]- 267.109871 183.9
[M+Na-2H]- 229.070686 150.8
[M]+ 208.09547142 148.4
[M]- 208.09656858 148.4
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.