CID 24846664
102367-78-2
Structural Information
- Molecular Formula
- C21H22ClN3O5S2
- SMILES
- CN(C)C1=CC=CC=C1CN(C2=NC(=C(S2)CC(=O)OC)C3=CC=C(C=C3)Cl)S(=O)(=O)O
- InChI
- InChI=1S/C21H22ClN3O5S2/c1-24(2)17-7-5-4-6-15(17)13-25(32(27,28)29)21-23-20(14-8-10-16(22)11-9-14)18(31-21)12-19(26)30-3/h4-11H,12-13H2,1-3H3,(H,27,28,29)
- InChIKey
- FQZHGOARMFBINM-UHFFFAOYSA-N
- Compound name
- [4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]-[[2-(dimethylamino)phenyl]methyl]sulfamic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 496.07622 | 212.7 |
[M+Na]+ | 518.05816 | 219.1 |
[M-H]- | 494.06166 | 222.8 |
[M+NH4]+ | 513.10276 | 221.6 |
[M+K]+ | 534.03210 | 214.5 |
[M+H-H2O]+ | 478.06620 | 205.1 |
[M+HCOO]- | 540.06714 | 221.0 |
[M+CH3COO]- | 554.08279 | 239.4 |
[M+Na-2H]- | 516.04361 | 211.7 |
[M]+ | 495.06839 | 222.8 |
[M]- | 495.06949 | 222.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.