CID 3062707

Brn 5602458

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CCCCOC1=CC=CC=C1NC2=NC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C15H17N3O4/c1-2-3-8-22-12-7-5-4-6-11(12)17-15-16-9-10(14(20)21)13(19)18-15/h4-7,9H,2-3,8H2,1H3,(H,20,21)(H2,16,17,18,19)
InChIKey
JRNZIFCRRQMVAK-UHFFFAOYSA-N
Compound name
2-(2-butoxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.12192 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12920 168.5
[M+Na]+ 326.11114 175.4
[M-H]- 302.11464 170.1
[M+NH4]+ 321.15574 178.9
[M+K]+ 342.08508 170.8
[M+H-H2O]+ 286.11918 159.2
[M+HCOO]- 348.12012 188.0
[M+CH3COO]- 362.13577 201.9
[M+Na-2H]- 324.09659 172.4
[M]+ 303.12137 169.3
[M]- 303.12247 169.3
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