CID 168510630
Jnt-517
Structural Information
- Molecular Formula
- C18H22F4N4O3
- SMILES
- C1C[C@H](CN(C1)C(=O)N)N(C2CC2)C(=O)NCC3=C(C=C(C=C3)OC(F)(F)F)F
- InChI
- InChI=1S/C18H22F4N4O3/c19-15-8-14(29-18(20,21)22)6-3-11(15)9-24-17(28)26(12-4-5-12)13-2-1-7-25(10-13)16(23)27/h3,6,8,12-13H,1-2,4-5,7,9-10H2,(H2,23,27)(H,24,28)/t13-/m1/s1
- InChIKey
- FNRHWODWSBDOOY-CYBMUJFWSA-N
- Compound name
- (3R)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]piperidine-1-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 419.17008 | 184.4 |
[M+Na]+ | 441.15202 | 188.9 |
[M-H]- | 417.15552 | 187.9 |
[M+NH4]+ | 436.19662 | 187.9 |
[M+K]+ | 457.12596 | 184.4 |
[M+H-H2O]+ | 401.16006 | 172.4 |
[M+HCOO]- | 463.16100 | 198.9 |
[M+CH3COO]- | 477.17665 | 233.8 |
[M+Na-2H]- | 439.13747 | 183.0 |
[M]+ | 418.16225 | 178.6 |
[M]- | 418.16335 | 178.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.