CID 3087728
2(3h)-benzoxazolone, 5-chloro-6-(3-chlorobenzoyl)-3-((4-phenyl-1-piperidinyl)methyl)-
Structural Information
- Molecular Formula
- C26H22Cl2N2O3
- SMILES
- C1CN(CCC1C2=CC=CC=C2)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC(=CC=C5)Cl)OC3=O
- InChI
- InChI=1S/C26H22Cl2N2O3/c27-20-8-4-7-19(13-20)25(31)21-14-24-23(15-22(21)28)30(26(32)33-24)16-29-11-9-18(10-12-29)17-5-2-1-3-6-17/h1-8,13-15,18H,9-12,16H2
- InChIKey
- UWDQXURORBQCNK-UHFFFAOYSA-N
- Compound name
- 5-chloro-6-(3-chlorobenzoyl)-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 481.10802 | 215.1 |
[M+Na]+ | 503.08996 | 224.4 |
[M-H]- | 479.09346 | 225.7 |
[M+NH4]+ | 498.13456 | 222.2 |
[M+K]+ | 519.06390 | 216.8 |
[M+H-H2O]+ | 463.09800 | 203.4 |
[M+HCOO]- | 525.09894 | 221.6 |
[M+CH3COO]- | 539.11459 | 223.1 |
[M+Na-2H]- | 501.07541 | 212.5 |
[M]+ | 480.10019 | 219.5 |
[M]- | 480.10129 | 219.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.