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]+ 283.071336 161.7
[M+Na]+ 305.053278 172.3
[M-H]- 281.056784 163.7
[M+NH4]+ 300.097883 174.0
[M+K]+ 321.027218 164.9
[M+H-H2O]+ 265.061320 153.5
[M+HCOO]- 327.062261 178.2
[M+CH3COO]- 341.077911 172.4
[M+Na-2H]- 303.038726 166.5
[M]+ 282.06351142 158.9
[M]- 282.06460858 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