CID 3021701
Cor 3430
Structural Information
- Molecular Formula
- C26H27N3O2
- SMILES
- C1CN(CCN1CCC2=CC=CC=C2NC3C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5
- InChI
- InChI=1S/C26H27N3O2/c30-26-23-12-6-5-11-22(23)25(31-26)27-24-13-7-4-8-20(24)14-15-28-16-18-29(19-17-28)21-9-2-1-3-10-21/h1-13,25,27H,14-19H2
- InChIKey
- WNKNIXLLQAOGBI-UHFFFAOYSA-N
- Compound name
- 3-[2-[2-(4-phenylpiperazin-1-yl)ethyl]anilino]-3H-2-benzofuran-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 414.21761 | 200.7 |
[M+Na]+ | 436.19955 | 204.5 |
[M-H]- | 412.20305 | 210.7 |
[M+NH4]+ | 431.24415 | 208.1 |
[M+K]+ | 452.17349 | 198.2 |
[M+H-H2O]+ | 396.20759 | 188.1 |
[M+HCOO]- | 458.20853 | 215.9 |
[M+CH3COO]- | 472.22418 | 208.1 |
[M+Na-2H]- | 434.18500 | 200.9 |
[M]+ | 413.20978 | 196.6 |
[M]- | 413.21088 | 196.6 |
Literature stripe
No literature data available for this compound.