CID 135434228

5,6-dihydroxy-2-(2-{[(naphthylethyl)amino]carbonylamino}phenyl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C24H20N4O5
SMILES
CC(C1=CC=CC2=CC=CC=C21)NC(=O)NC3=CC=CC=C3C4=NC(=C(C(=O)N4)O)C(=O)O
InChI
InChI=1S/C24H20N4O5/c1-13(15-11-6-8-14-7-2-3-9-16(14)15)25-24(33)26-18-12-5-4-10-17(18)21-27-19(23(31)32)20(29)22(30)28-21/h2-13,29H,1H3,(H,31,32)(H2,25,26,33)(H,27,28,30)
InChIKey
DJMRJLLDAONWTN-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.14337 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15065 202.6
[M+Na]+ 467.13259 207.5
[M-H]- 443.13609 207.1
[M+NH4]+ 462.17719 206.3
[M+K]+ 483.10653 201.9
[M+H-H2O]+ 427.14063 191.6
[M+HCOO]- 489.14157 217.5
[M+CH3COO]- 503.15722 231.6
[M+Na-2H]- 465.11804 205.0
[M]+ 444.14282 200.5
[M]- 444.14392 200.5
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

No patent data available for this compound.