CID 135434309

5,6-dihydroxy-2-[3-(2-(2-naphthyl)acetylamino)phenyl]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C23H17N3O5
SMILES
C1=CC=C2C=C(C=CC2=C1)CC(=O)NC3=CC=CC(=C3)C4=NC(=C(C(=O)N4)O)C(=O)O
InChI
InChI=1S/C23H17N3O5/c27-18(11-13-8-9-14-4-1-2-5-15(14)10-13)24-17-7-3-6-16(12-17)21-25-19(23(30)31)20(28)22(29)26-21/h1-10,12,28H,11H2,(H,24,27)(H,30,31)(H,25,26,29)
InChIKey
PNZUFYPJPMCLAH-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[3-[(2-naphthalen-2-ylacetyl)amino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.11682 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12410 196.3
[M+Na]+ 438.10604 202.9
[M-H]- 414.10954 200.9
[M+NH4]+ 433.15064 201.6
[M+K]+ 454.07998 196.4
[M+H-H2O]+ 398.11408 185.4
[M+HCOO]- 460.11502 211.5
[M+CH3COO]- 474.13067 203.7
[M+Na-2H]- 436.09149 199.3
[M]+ 415.11627 195.0
[M]- 415.11737 195.0
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.