CID 3075615
Pd 158771
Structural Information
- Molecular Formula
- C22H31N5
- SMILES
- C1CC(CCC1CCN2CCN(CC2)C3=CC=CC=C3)NC4=NC=CC=N4
- InChI
- InChI=1S/C22H31N5/c1-2-5-21(6-3-1)27-17-15-26(16-18-27)14-11-19-7-9-20(10-8-19)25-22-23-12-4-13-24-22/h1-6,12-13,19-20H,7-11,14-18H2,(H,23,24,25)
- InChIKey
- OUUMPVSFLSOGJZ-UHFFFAOYSA-N
- Compound name
- N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 366.26521 | 191.8 |
[M+Na]+ | 388.24715 | 192.0 |
[M-H]- | 364.25065 | 195.8 |
[M+NH4]+ | 383.29175 | 196.3 |
[M+K]+ | 404.22109 | 184.7 |
[M+H-H2O]+ | 348.25519 | 176.8 |
[M+HCOO]- | 410.25613 | 202.5 |
[M+CH3COO]- | 424.27178 | 196.7 |
[M+Na-2H]- | 386.23260 | 193.5 |
[M]+ | 365.25738 | 181.4 |
[M]- | 365.25848 | 181.4 |