CID 49159

5-crotyl-5-phenylbarbituric acid sodium salt

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C/C=C/CC1(C(=O)NC(NC1=O)O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3/c1-2-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18/h2-8,13,19H,9H2,1H3,(H,15,17)(H,16,18)/b3-2+
InChIKey
LFSQTIAZOZGRMQ-NSCUHMNNSA-N
Compound name
5-[(E)-but-2-enyl]-2-hydroxy-5-phenyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 161.2
[M+Na]+ 283.10532 168.0
[M-H]- 259.10882 160.9
[M+NH4]+ 278.14992 175.1
[M+K]+ 299.07926 162.0
[M+H-H2O]+ 243.11336 153.9
[M+HCOO]- 305.11430 175.3
[M+CH3COO]- 319.12995 187.3
[M+Na-2H]- 281.09077 164.0
[M]+ 260.11555 155.2
[M]- 260.11665 155.2
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.