CID 275489
Nsc122361
Structural Information
- Molecular Formula
- C20H24N2O4S
- SMILES
- CC1CCCC2=C1C(=O)N(C2=O)CSCN3C(=O)C4=C(C3=O)C(CCC4)C
- InChI
- InChI=1S/C20H24N2O4S/c1-11-5-3-7-13-15(11)19(25)21(17(13)23)9-27-10-22-18(24)14-8-4-6-12(2)16(14)20(22)26/h11-12H,3-10H2,1-2H3
- InChIKey
- HHGRDQOYRMWVNL-UHFFFAOYSA-N
- Compound name
- 4-methyl-2-[(4-methyl-1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methylsulfanylmethyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 389.15298 | 194.1 |
[M+Na]+ | 411.13492 | 202.2 |
[M-H]- | 387.13842 | 199.7 |
[M+NH4]+ | 406.17952 | 209.7 |
[M+K]+ | 427.10886 | 196.9 |
[M+H-H2O]+ | 371.14296 | 188.5 |
[M+HCOO]- | 433.14390 | 202.7 |
[M+CH3COO]- | 447.15955 | 221.5 |
[M+Na-2H]- | 409.12037 | 186.5 |
[M]+ | 388.14515 | 195.9 |
[M]- | 388.14625 | 195.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.