CID 91504011

4-(pyrazin-2-yl)pyrimidin-2-ol

Structural Information

Molecular Formula
C8H6N4O
SMILES
C1=CN=C(C=N1)C2=CC=NC(=O)N2
InChI
InChI=1S/C8H6N4O/c13-8-11-2-1-6(12-8)7-5-9-3-4-10-7/h1-5H,(H,11,12,13)
InChIKey
BVXYMTKEEZLJNG-UHFFFAOYSA-N
Compound name
6-pyrazin-2-yl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

174.05415 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06143 135.2
[M+Na]+ 197.04337 145.3
[M-H]- 173.04687 135.5
[M+NH4]+ 192.08797 148.9
[M+K]+ 213.01731 140.7
[M+H-H2O]+ 157.05141 125.8
[M+HCOO]- 219.05235 154.9
[M+CH3COO]- 233.06800 147.4
[M+Na-2H]- 195.02882 145.3
[M]+ 174.05360 133.3
[M]- 174.05470 133.3
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

patents stripe