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]+ 219.07642 147.2
[M+Na]+ 241.05836 153.8
[M-H]- 217.06186 147.1
[M+NH4]+ 236.10296 160.4
[M+K]+ 257.03230 148.9
[M+H-H2O]+ 201.06640 139.5
[M+HCOO]- 263.06734 162.5
[M+CH3COO]- 277.08299 179.5
[M+Na-2H]- 239.04381 150.9
[M]+ 218.06859 140.9
[M]- 218.06969 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.