CID 135434256

2-[2-(cyclohexylcarbamoylamino)phenyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C18H20N4O5
SMILES
C1CCC(CC1)NC(=O)NC2=CC=CC=C2C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C18H20N4O5/c23-14-13(17(25)26)21-15(22-16(14)24)11-8-4-5-9-12(11)20-18(27)19-10-6-2-1-3-7-10/h4-5,8-10,23H,1-3,6-7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
InChIKey
PRWYSLGXNRVCOU-UHFFFAOYSA-N
Compound name
2-[2-(cyclohexylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.14337 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15065 184.1
[M+Na]+ 395.13259 187.3
[M-H]- 371.13609 186.9
[M+NH4]+ 390.17719 189.8
[M+K]+ 411.10653 182.6
[M+H-H2O]+ 355.14063 173.9
[M+HCOO]- 417.14157 198.4
[M+CH3COO]- 431.15722 214.6
[M+Na-2H]- 393.11804 184.9
[M]+ 372.14282 177.2
[M]- 372.14392 177.2
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.