CID 71315091
1-cyclohexyl-3-(4-{2-[(cyclohexylcarbamoyl)amino]ethyl}benzenesulfonyl)urea
Structural Information
- Molecular Formula
- C22H34N4O4S
- SMILES
- C1CCC(CC1)NC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
- InChI
- InChI=1S/C22H34N4O4S/c27-21(24-18-7-3-1-4-8-18)23-16-15-17-11-13-20(14-12-17)31(29,30)26-22(28)25-19-9-5-2-6-10-19/h11-14,18-19H,1-10,15-16H2,(H2,23,24,27)(H2,25,26,28)
- InChIKey
- FYNBBKUBRFUWKU-UHFFFAOYSA-N
- Compound name
- 1-cyclohexyl-3-[4-[2-(cyclohexylcarbamoylamino)ethyl]phenyl]sulfonylurea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 451.23735 | 199.3 |
[M+Na]+ | 473.21929 | 195.5 |
[M-H]- | 449.22279 | 205.0 |
[M+NH4]+ | 468.26389 | 205.6 |
[M+K]+ | 489.19323 | 191.7 |
[M+H-H2O]+ | 433.22733 | 189.5 |
[M+HCOO]- | 495.22827 | 210.6 |
[M+CH3COO]- | 509.24392 | 234.8 |
[M+Na-2H]- | 471.20474 | 200.1 |
[M]+ | 450.22952 | 191.0 |
[M]- | 450.23062 | 191.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.