CID 3038015

5-phenylthiocarbamoylbarbituric acid

Structural Information

Molecular Formula
C11H9N3O3S
SMILES
C1=CC=C(C=C1)NC(=S)C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H9N3O3S/c15-8-7(9(16)14-11(17)13-8)10(18)12-6-4-2-1-3-5-6/h1-5,7H,(H,12,18)(H2,13,14,15,16,17)
InChIKey
OIDKCVAZEQNHDA-UHFFFAOYSA-N
Compound name
2,4,6-trioxo-N-phenyl-1,3-diazinane-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.03647 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04375 156.8
[M+Na]+ 286.02569 166.5
[M+NH4]+ 281.07029 162.1
[M+K]+ 301.99963 160.3
[M-H]- 262.02919 157.4
[M+Na-2H]- 284.01114 160.7
[M]+ 263.03592 158.3
[M]- 263.03702 158.3
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.