CID 91051
23905-10-4
Structural Information
- Molecular Formula
- C23H32ClN3O2
- SMILES
- C1CN(CCN1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CCOCCO
- InChI
- InChI=1S/C23H32ClN3O2/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)25-10-11-26-12-14-27(15-13-26)16-18-29-19-17-28/h1-9,23,25,28H,10-19H2
- InChIKey
- PVODOUYUXIIDFD-UHFFFAOYSA-N
- Compound name
- 2-[2-[4-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethyl]piperazin-1-yl]ethoxy]ethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 418.22558 | 201.2 |
[M+Na]+ | 440.20752 | 202.6 |
[M-H]- | 416.21102 | 204.3 |
[M+NH4]+ | 435.25212 | 207.5 |
[M+K]+ | 456.18146 | 195.5 |
[M+H-H2O]+ | 400.21556 | 189.6 |
[M+HCOO]- | 462.21650 | 211.0 |
[M+CH3COO]- | 476.23215 | 224.2 |
[M+Na-2H]- | 438.19297 | 201.2 |
[M]+ | 417.21775 | 200.0 |
[M]- | 417.21885 | 200.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.