CID 44817278
1211565-08-0
Structural Information
- Molecular Formula
- C22H26F3N3O2
- SMILES
- C1CCN(CC1)[C@@H]2CCCC[C@H]2NC3=C(C(=O)C3=O)NC4=CC=C(C=C4)C(F)(F)F
- InChI
- InChI=1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m1/s1
- InChIKey
- JRSCPJJNZMRAQS-IAGOWNOFSA-N
- Compound name
- 3-[[(1R,2R)-2-piperidin-1-ylcyclohexyl]amino]-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 422.20500 | 199.7 |
[M+Na]+ | 444.18694 | 202.0 |
[M-H]- | 420.19044 | 205.1 |
[M+NH4]+ | 439.23154 | 200.7 |
[M+K]+ | 460.16088 | 199.2 |
[M+H-H2O]+ | 404.19498 | 180.4 |
[M+HCOO]- | 466.19592 | 211.4 |
[M+CH3COO]- | 480.21157 | 232.6 |
[M+Na-2H]- | 442.17239 | 197.7 |
[M]+ | 421.19717 | 197.7 |
[M]- | 421.19827 | 197.7 |