CID 135434332

5,6-dihydroxy-2-[3-(1-naphthylcarbamoylamino)phenyl]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C22H16N4O5
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=CC(=C3)C4=NC(=C(C(=O)N4)O)C(=O)O
InChI
InChI=1S/C22H16N4O5/c27-18-17(21(29)30)25-19(26-20(18)28)13-7-3-8-14(11-13)23-22(31)24-16-10-4-6-12-5-1-2-9-15(12)16/h1-11,27H,(H,29,30)(H2,23,24,31)(H,25,26,28)
InChIKey
JZIIEWPLWQGXCT-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[3-(naphthalen-1-ylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11206 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11934 194.5
[M+Na]+ 439.10128 200.7
[M-H]- 415.10478 199.3
[M+NH4]+ 434.14588 199.5
[M+K]+ 455.07522 194.6
[M+H-H2O]+ 399.10932 183.6
[M+HCOO]- 461.11026 211.1
[M+CH3COO]- 475.12591 201.8
[M+Na-2H]- 437.08673 198.8
[M]+ 416.11151 192.2
[M]- 416.11261 192.2
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.