CID 3542508

304443-33-2

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C(C=C1)C2C=C(NC(=O)N2)C(=O)O
InChI
InChI=1S/C11H10N2O3/c14-10(15)9-6-8(12-11(16)13-9)7-4-2-1-3-5-7/h1-6,8H,(H,14,15)(H2,12,13,16)
InChIKey
JAGRUSXXRNCWLX-UHFFFAOYSA-N
Compound name
2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 147.2
[M+Na]+ 241.058358 153.8
[M-H]- 217.061864 147.1
[M+NH4]+ 236.102963 160.4
[M+K]+ 257.032298 148.9
[M+H-H2O]+ 201.066400 139.5
[M+HCOO]- 263.067341 162.5
[M+CH3COO]- 277.082991 179.5
[M+Na-2H]- 239.043806 150.9
[M]+ 218.06859142 140.9
[M]- 218.06968858 140.9
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

No patent data available for this compound.