CID 135406878

62222-38-2

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)
InChIKey
ZCILTNACHNCSCB-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

232.0484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 147.5
[M+Na]+ 255.03762 156.8
[M-H]- 231.04112 148.6
[M+NH4]+ 250.08222 160.5
[M+K]+ 271.01156 152.2
[M+H-H2O]+ 215.04566 139.8
[M+HCOO]- 277.04660 165.9
[M+CH3COO]- 291.06225 182.4
[M+Na-2H]- 253.02307 152.5
[M]+ 232.04785 145.9
[M]- 232.04895 145.9
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

patents stripe