CID 3033349

66940-67-8

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
CC(=C)C1(C(=O)NC(=S)NC1=O)C2CCC=C2
InChI
InChI=1S/C12H14N2O2S/c1-7(2)12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h3,5,8H,1,4,6H2,2H3,(H2,13,14,15,16,17)
InChIKey
NYZIEICDGYQBIZ-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 156.6
[M+Na]+ 273.06682 163.7
[M-H]- 249.07032 157.7
[M+NH4]+ 268.11142 173.9
[M+K]+ 289.04076 158.1
[M+H-H2O]+ 233.07486 151.1
[M+HCOO]- 295.07580 166.1
[M+CH3COO]- 309.09145 186.2
[M+Na-2H]- 271.05227 153.7
[M]+ 250.07705 150.9
[M]- 250.07815 150.9
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.