CID 3040689
Brn 0836741
Structural Information
- Molecular Formula
- C21H27N3O2
- SMILES
- C1CN(CCN1CCO)C(=O)CCN(C2=CC=CC=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C21H27N3O2/c25-18-17-22-13-15-23(16-14-22)21(26)11-12-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,25H,11-18H2
- InChIKey
- CDUWZSVCKAAYRT-UHFFFAOYSA-N
- Compound name
- 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 354.21761 | 186.4 |
[M+Na]+ | 376.19955 | 187.5 |
[M-H]- | 352.20305 | 191.2 |
[M+NH4]+ | 371.24415 | 194.7 |
[M+K]+ | 392.17349 | 183.0 |
[M+H-H2O]+ | 336.20759 | 174.5 |
[M+HCOO]- | 398.20853 | 202.2 |
[M+CH3COO]- | 412.22418 | 215.6 |
[M+Na-2H]- | 374.18500 | 187.9 |
[M]+ | 353.20978 | 182.2 |
[M]- | 353.21088 | 182.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.