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]+ 290.113536 164.1
[M+Na]+ 312.095478 171.5
[M-H]- 288.098984 165.9
[M+NH4]+ 307.140083 175.0
[M+K]+ 328.069418 167.1
[M+H-H2O]+ 272.103520 155.0
[M+HCOO]- 334.104461 183.9
[M+CH3COO]- 348.120111 198.9
[M+Na-2H]- 310.080926 168.5
[M]+ 289.10571142 164.5
[M]- 289.10680858 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