CID 9908126
Uk-373911
Structural Information
- Molecular Formula
- C17H18Cl2N2O2S
- SMILES
- CN[C@H]1CC[C@H](C2=C1C=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)Cl)Cl
- InChI
- InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1
- InChIKey
- HGBGXSPIBLZGHS-SJCJKPOMSA-N
- Compound name
- (5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 385.05388 | 184.3 |
[M+Na]+ | 407.03582 | 193.4 |
[M-H]- | 383.03932 | 190.9 |
[M+NH4]+ | 402.08042 | 198.6 |
[M+K]+ | 423.00976 | 185.8 |
[M+H-H2O]+ | 367.04386 | 179.1 |
[M+HCOO]- | 429.04480 | 190.5 |
[M+CH3COO]- | 443.06045 | 219.2 |
[M+Na-2H]- | 405.02127 | 186.1 |
[M]+ | 384.04605 | 187.1 |
[M]- | 384.04715 | 187.1 |