CID 9887557
N-[(1s)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Structural Information
- Molecular Formula
- C21H35N5O3
- SMILES
- CN1CCC(CC1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3
- InChI
- InChI=1S/C21H35N5O3/c1-25-9-7-21(16-22,8-10-25)24-19(27)18(15-17-5-3-2-4-6-17)23-20(28)26-11-13-29-14-12-26/h17-18H,2-15H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1
- InChIKey
- IRSOCWQJNYLTDD-SFHVURJKSA-N
- Compound name
- N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 406.28128 | 194.8 |
[M+Na]+ | 428.26322 | 194.0 |
[M-H]- | 404.26672 | 196.7 |
[M+NH4]+ | 423.30782 | 199.9 |
[M+K]+ | 444.23716 | 190.1 |
[M+H-H2O]+ | 388.27126 | 177.6 |
[M+HCOO]- | 450.27220 | 199.3 |
[M+CH3COO]- | 464.28785 | 233.0 |
[M+Na-2H]- | 426.24867 | 192.2 |
[M]+ | 405.27345 | 178.6 |
[M]- | 405.27455 | 178.6 |