CID 3566586

60750-37-0

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H12N2O3/c1-7-9(11(15)16)10(14-12(17)13-7)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,15,16)(H2,13,14,17)
InChIKey
RJPIEFIYDRBNFF-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

232.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 151.8
[M+Na]+ 255.074018 158.8
[M-H]- 231.077524 151.9
[M+NH4]+ 250.118623 164.7
[M+K]+ 271.047958 153.8
[M+H-H2O]+ 215.082060 144.2
[M+HCOO]- 277.083001 166.7
[M+CH3COO]- 291.098651 183.7
[M+Na-2H]- 253.059466 154.2
[M]+ 232.08425142 146.3
[M]- 232.08534858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe