CID 135434744

2-[5-[(4-tert-butylbenzoyl)amino]oxazol-4-yl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C19H18N4O6
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(N=CO2)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C19H18N4O6/c1-19(2,3)10-6-4-9(5-7-10)15(25)23-17-12(20-8-29-17)14-21-11(18(27)28)13(24)16(26)22-14/h4-8,24H,1-3H3,(H,23,25)(H,27,28)(H,21,22,26)
InChIKey
BYPXDFPWFIETBJ-UHFFFAOYSA-N
Compound name
2-[5-[(4-tert-butylbenzoyl)amino]-1,3-oxazol-4-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.12262 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12990 192.3
[M+Na]+ 421.11184 199.6
[M-H]- 397.11534 196.8
[M+NH4]+ 416.15644 197.1
[M+K]+ 437.08578 196.3
[M+H-H2O]+ 381.11988 183.2
[M+HCOO]- 443.12082 206.6
[M+CH3COO]- 457.13647 217.8
[M+Na-2H]- 419.09729 193.1
[M]+ 398.12207 193.7
[M]- 398.12317 193.7
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.