CID 3049075

Brn 0841139

Structural Information

Molecular Formula
C14H14N4O5
SMILES
CN1C(=C(C(=O)N(C1=O)C)C(=O)NC2=CC=CC=C2C(=O)O)N
InChI
InChI=1S/C14H14N4O5/c1-17-10(15)9(12(20)18(2)14(17)23)11(19)16-8-6-4-3-5-7(8)13(21)22/h3-6H,15H2,1-2H3,(H,16,19)(H,21,22)
InChIKey
WKYJTXNPFFEDII-UHFFFAOYSA-N
Compound name
2-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0964 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10368 170.6
[M+Na]+ 341.08562 181.8
[M+NH4]+ 336.13022 173.6
[M+K]+ 357.05956 179.2
[M-H]- 317.08912 171.2
[M+Na-2H]- 339.07107 174.7
[M]+ 318.09585 171.8
[M]- 318.09695 171.8
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.