CID 486606
Chembl79622
Structural Information
- Molecular Formula
- C34H44N4O5S
- SMILES
- CCCN(C1CCN(CC1)CC[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)C(=O)N
- InChI
- InChI=1S/C34H44N4O5S/c1-3-21-38(34(40)43-26-27-14-16-29(17-15-27)33(35)39)31-19-23-37(24-20-31)22-18-30(28-10-6-4-7-11-28)25-36(2)44(41,42)32-12-8-5-9-13-32/h4-17,30-31H,3,18-26H2,1-2H3,(H2,35,39)/t30-/m1/s1
- InChIKey
- OKAYRNKUARTJKT-SSEXGKCCSA-N
- Compound name
- (4-carbamoylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-propylcarbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 621.31048 | 245.9 |
[M+Na]+ | 643.29242 | 241.6 |
[M-H]- | 619.29592 | 255.3 |
[M+NH4]+ | 638.33702 | 244.4 |
[M+K]+ | 659.26636 | 239.0 |
[M+H-H2O]+ | 603.30046 | 232.7 |
[M+HCOO]- | 665.30140 | 255.7 |
[M+CH3COO]- | 679.31705 | 271.8 |
[M+Na-2H]- | 641.27787 | 242.7 |
[M]+ | 620.30265 | 246.6 |
[M]- | 620.30375 | 246.6 |
Literature stripe
Patent stripe
No patent data available for this compound.