CID 15955980
Schembl1490723
Structural Information
- Molecular Formula
- C14H14N2O4S2
- SMILES
- CC(C)N1C(=O)C2=C(C1=O)SC3=C(S2)C(=O)N(C3=O)C(C)C
- InChI
- InChI=1S/C14H14N2O4S2/c1-5(2)15-11(17)7-8(12(15)18)22-10-9(21-7)13(19)16(6(3)4)14(10)20/h5-6H,1-4H3
- InChIKey
- RIJFCZPEGULYLI-UHFFFAOYSA-N
- Compound name
- 5,11-di(propan-2-yl)-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.04678 | 173.1 |
[M+Na]+ | 361.02872 | 188.9 |
[M-H]- | 337.03222 | 179.0 |
[M+NH4]+ | 356.07332 | 192.1 |
[M+K]+ | 377.00266 | 184.0 |
[M+H-H2O]+ | 321.03676 | 169.8 |
[M+HCOO]- | 383.03770 | 186.2 |
[M+CH3COO]- | 397.05335 | 209.8 |
[M+Na-2H]- | 359.01417 | 170.9 |
[M]+ | 338.03895 | 186.2 |
[M]- | 338.04005 | 186.2 |