CID 3033361

66941-77-3

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CC(C=C)C1(C(=O)NC(=S)NC1=O)CC=C
InChI
InChI=1S/C11H14N2O2S/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4-5,7H,1-2,6H2,3H3,(H2,12,13,14,15,16)
InChIKey
CIFKLCGMJLPAFM-UHFFFAOYSA-N
Compound name
5-but-3-en-2-yl-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 157.2
[M+Na]+ 261.06682 165.8
[M+NH4]+ 256.11142 163.5
[M+K]+ 277.04076 157.3
[M-H]- 237.07032 154.9
[M+Na-2H]- 259.05227 158.9
[M]+ 238.07705 157.9
[M]- 238.07815 157.9
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

No patent data available for this compound.