CID 15123685

2,5,6-trimethyl-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C8H10N4O
SMILES
CC1=C(N=C2N=C(NN2C1=O)C)C
InChI
InChI=1S/C8H10N4O/c1-4-5(2)9-8-10-6(3)11-12(8)7(4)13/h1-3H3,(H,9,10,11)
InChIKey
YNZCUSROEREQGV-UHFFFAOYSA-N
Compound name
2,5,6-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

178.08546 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09274 137.1
[M+Na]+ 201.07468 151.1
[M-H]- 177.07818 136.7
[M+NH4]+ 196.11928 155.1
[M+K]+ 217.04862 146.8
[M+H-H2O]+ 161.08272 129.8
[M+HCOO]- 223.08366 157.6
[M+CH3COO]- 237.09931 150.9
[M+Na-2H]- 199.06013 143.5
[M]+ 178.08491 140.1
[M]- 178.08601 140.1
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