CID 3062706

Brn 5597280

Structural Information

Molecular Formula
C14H15N3O4
SMILES
CCCOC1=CC=CC=C1NC2=NC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C14H15N3O4/c1-2-7-21-11-6-4-3-5-10(11)16-14-15-8-9(13(19)20)12(18)17-14/h3-6,8H,2,7H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKey
SYPFQPZYPNNRJU-UHFFFAOYSA-N
Compound name
6-oxo-2-(2-propoxyanilino)-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.10626 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 164.1
[M+Na]+ 312.09548 171.5
[M-H]- 288.09898 165.9
[M+NH4]+ 307.14008 175.0
[M+K]+ 328.06942 167.1
[M+H-H2O]+ 272.10352 155.0
[M+HCOO]- 334.10446 183.9
[M+CH3COO]- 348.12011 198.9
[M+Na-2H]- 310.08093 168.5
[M]+ 289.10571 164.5
[M]- 289.10681 164.5
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

patents stripe