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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 239.08488 | 151.5 |
[M+Na]+ | 261.06682 | 158.8 |
[M-H]- | 237.07032 | 149.3 |
[M+NH4]+ | 256.11142 | 167.7 |
[M+K]+ | 277.04076 | 152.9 |
[M+H-H2O]+ | 221.07486 | 146.5 |
[M+HCOO]- | 283.07580 | 160.5 |
[M+CH3COO]- | 297.09145 | 186.3 |
[M+Na-2H]- | 259.05227 | 150.2 |
[M]+ | 238.07705 | 147.7 |
[M]- | 238.07815 | 147.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.