CID 206372

49786-40-5

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1CC2=C(C1)N(C(=O)N(C2=O)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C15H14N2O4/c18-13(19)9-16-12-8-4-7-11(12)14(20)17(15(16)21)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,18,19)
InChIKey
VSVGMINYEOJZMP-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 161.8
[M+Na]+ 309.084588 171.5
[M-H]- 285.088094 166.3
[M+NH4]+ 304.129193 176.9
[M+K]+ 325.058528 166.9
[M+H-H2O]+ 269.092630 153.7
[M+HCOO]- 331.093571 181.0
[M+CH3COO]- 345.109221 197.6
[M+Na-2H]- 307.070036 164.3
[M]+ 286.09482142 163.1
[M]- 286.09591858 163.1
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

No patent data available for this compound.