CID 6434936

5-allyl-5-(2-butenyl)-2-thiobarbituric acid sodium salt

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
C/C=C/CC1(C(=O)NC(=S)NC1=O)CC=C
InChI
InChI=1S/C11H14N2O2S/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h3-5H,2,6-7H2,1H3,(H2,12,13,14,15,16)/b5-3+
InChIKey
QBQJPHIBWFAYST-HWKANZROSA-N
Compound name
5-[(E)-but-2-enyl]-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 157.6
[M+Na]+ 261.06682 166.6
[M+NH4]+ 256.11142 164.0
[M+K]+ 277.04076 157.2
[M-H]- 237.07032 155.5
[M+Na-2H]- 259.05227 159.5
[M]+ 238.07705 158.4
[M]- 238.07815 158.4
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.

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No patent data available for this compound.