CID 15955369
Benzo[b]thiophene-3-carboxylic acid, 2-[[[[(4-acetyl-1-piperazinyl)sulfonyl]amino]carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
Structural Information
- Molecular Formula
- C18H26N4O6S2
- SMILES
- CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NS(=O)(=O)N3CCN(CC3)C(=O)C
- InChI
- InChI=1S/C18H26N4O6S2/c1-3-28-17(24)15-13-6-4-5-7-14(13)29-16(15)19-18(25)20-30(26,27)22-10-8-21(9-11-22)12(2)23/h3-11H2,1-2H3,(H2,19,20,25)
- InChIKey
- SLGITJYOECFVPU-UHFFFAOYSA-N
- Compound name
- ethyl 2-[(4-acetylpiperazin-1-yl)sulfonylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 459.13664 | 200.9 |
[M+Na]+ | 481.11858 | 202.2 |
[M-H]- | 457.12208 | 203.2 |
[M+NH4]+ | 476.16318 | 208.8 |
[M+K]+ | 497.09252 | 199.2 |
[M+H-H2O]+ | 441.12662 | 194.4 |
[M+HCOO]- | 503.12756 | 203.9 |
[M+CH3COO]- | 517.14321 | 229.7 |
[M+Na-2H]- | 479.10403 | 199.9 |
[M]+ | 458.12881 | 201.0 |
[M]- | 458.12991 | 201.0 |
Literature stripe
Patent stripe
No patent data available for this compound.