CID 497002
Chembl90133
Structural Information
- Molecular Formula
- C17H17Cl2N3O2S
- SMILES
- CC(C)S(=O)(=O)N1C2=CC(=C(C=C2N=C1CCC3=CC=CC=N3)Cl)Cl
- InChI
- InChI=1S/C17H17Cl2N3O2S/c1-11(2)25(23,24)22-16-10-14(19)13(18)9-15(16)21-17(22)7-6-12-5-3-4-8-20-12/h3-5,8-11H,6-7H2,1-2H3
- InChIKey
- OSVPQBZOLBTBOA-UHFFFAOYSA-N
- Compound name
- 5,6-dichloro-1-propan-2-ylsulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 398.04912 | 188.9 |
[M+Na]+ | 420.03106 | 201.5 |
[M-H]- | 396.03456 | 193.5 |
[M+NH4]+ | 415.07566 | 201.5 |
[M+K]+ | 436.00500 | 194.1 |
[M+H-H2O]+ | 380.03910 | 181.5 |
[M+HCOO]- | 442.04004 | 193.6 |
[M+CH3COO]- | 456.05569 | 199.2 |
[M+Na-2H]- | 418.01651 | 189.5 |
[M]+ | 397.04129 | 198.5 |
[M]- | 397.04239 | 198.5 |
Literature stripe
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