CID 16459512

1-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=C(C(=NC2=NC=NN12)C)C(=O)C
InChI
InChI=1S/C9H10N4O/c1-5-8(7(3)14)6(2)13-9(12-5)10-4-11-13/h4H,1-3H3
InChIKey
ZFXIRWCJPZRNJH-UHFFFAOYSA-N
Compound name
1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 140.0
[M+Na]+ 213.07468 152.8
[M-H]- 189.07818 140.7
[M+NH4]+ 208.11928 157.9
[M+K]+ 229.04862 149.7
[M+H-H2O]+ 173.08272 132.1
[M+HCOO]- 235.08366 160.7
[M+CH3COO]- 249.09931 185.1
[M+Na-2H]- 211.06013 146.2
[M]+ 190.08491 144.3
[M]- 190.08601 144.3
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.