CID 4117239

5-(2-hydroxy-1-naphthylmethylene)barbituric acid

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C2C(=C1)C=CC(=O)C2=CC3=C(NC(=O)NC3=O)O
InChI
InChI=1S/C15H10N2O4/c18-12-6-5-8-3-1-2-4-9(8)10(12)7-11-13(19)16-15(21)17-14(11)20/h1-7H,(H3,16,17,19,20,21)
InChIKey
GWISPBKSLHNIKB-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07134 161.7
[M+Na]+ 305.05328 172.3
[M-H]- 281.05678 163.7
[M+NH4]+ 300.09788 174.0
[M+K]+ 321.02722 164.9
[M+H-H2O]+ 265.06132 153.5
[M+HCOO]- 327.06226 178.2
[M+CH3COO]- 341.07791 172.4
[M+Na-2H]- 303.03873 166.5
[M]+ 282.06351 158.9
[M]- 282.06461 158.9
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

patents stripe