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

18
Patents

174.05415 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.061426 135.2
[M+Na]+ 197.043368 145.3
[M-H]- 173.046874 135.5
[M+NH4]+ 192.087973 148.9
[M+K]+ 213.017308 140.7
[M+H-H2O]+ 157.051410 125.8
[M+HCOO]- 219.052351 154.9
[M+CH3COO]- 233.068001 147.4
[M+Na-2H]- 195.028816 145.3
[M]+ 174.05360142 133.3
[M]- 174.05469858 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