CID 3087474

5-hydroxy-5-phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1C(CN=CN1)(C2=CC=CC=C2)O
InChI
InChI=1S/C10H12N2O/c13-10(6-11-8-12-7-10)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,11,12)
InChIKey
KWZCOMAWTOXJNL-UHFFFAOYSA-N
Compound name
5-phenyl-4,6-dihydro-1H-pyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

176.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 138.8
[M+Na]+ 199.08418 145.2
[M-H]- 175.08768 139.7
[M+NH4]+ 194.12878 156.2
[M+K]+ 215.05812 141.3
[M+H-H2O]+ 159.09222 131.2
[M+HCOO]- 221.09316 156.2
[M+CH3COO]- 235.10881 150.1
[M+Na-2H]- 197.06963 147.1
[M]+ 176.09441 132.6
[M]- 176.09551 132.6
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