CID 464719
173908-39-9
Structural Information
- Molecular Formula
- C18H15ClN2O4S
- SMILES
- C1=CC=C(C=C1)COC(=O)C2=CC=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)N
- InChI
- InChI=1S/C18H15ClN2O4S/c19-14-8-9-15(20)17(11-14)26(23,24)21-10-4-7-16(21)18(22)25-12-13-5-2-1-3-6-13/h1-11H,12,20H2
- InChIKey
- UHFYWBAOQUDLCX-UHFFFAOYSA-N
- Compound name
- benzyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 391.05138 | 189.3 |
[M+Na]+ | 413.03332 | 198.5 |
[M-H]- | 389.03682 | 198.4 |
[M+NH4]+ | 408.07792 | 201.8 |
[M+K]+ | 429.00726 | 192.3 |
[M+H-H2O]+ | 373.04136 | 181.7 |
[M+HCOO]- | 435.04230 | 202.8 |
[M+CH3COO]- | 449.05795 | 214.2 |
[M+Na-2H]- | 411.01877 | 189.6 |
[M]+ | 390.04355 | 194.9 |
[M]- | 390.04465 | 194.9 |
Literature stripe
Patent stripe
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