CID 3033357

66941-60-4

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
C=CCC1(C(=O)NC(=S)NC1=O)C2CCC=C2
InChI
InChI=1S/C12H14N2O2S/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)
InChIKey
QCARJOPGJNPBPJ-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-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

250.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 159.3
[M+Na]+ 273.06682 168.1
[M+NH4]+ 268.11142 166.7
[M+K]+ 289.04076 160.6
[M-H]- 249.07032 159.2
[M+Na-2H]- 271.05227 162.6
[M]+ 250.07705 160.6
[M]- 250.07815 160.6
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.