CID 3087723
2(3h)-benzoxazolone, 5-chloro-6-(2-chlorobenzoyl)-3-((4-hydroxy-4-phenyl-1-piperidinyl)methyl)-
Structural Information
- Molecular Formula
- C26H22Cl2N2O4
- SMILES
- C1CN(CCC1(C2=CC=CC=C2)O)CN3C4=C(C=C(C(=C4)Cl)C(=O)C5=CC=CC=C5Cl)OC3=O
- InChI
- InChI=1S/C26H22Cl2N2O4/c27-20-9-5-4-8-18(20)24(31)19-14-23-22(15-21(19)28)30(25(32)34-23)16-29-12-10-26(33,11-13-29)17-6-2-1-3-7-17/h1-9,14-15,33H,10-13,16H2
- InChIKey
- BPTVZIMBAZGGPT-UHFFFAOYSA-N
- Compound name
- 5-chloro-6-(2-chlorobenzoyl)-3-[(4-hydroxy-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]+ | 497.10295 | 215.2 |
[M+Na]+ | 519.08489 | 224.9 |
[M-H]- | 495.08839 | 225.1 |
[M+NH4]+ | 514.12949 | 223.0 |
[M+K]+ | 535.05883 | 217.9 |
[M+H-H2O]+ | 479.09293 | 204.0 |
[M+HCOO]- | 541.09387 | 220.6 |
[M+CH3COO]- | 555.10952 | 223.0 |
[M+Na-2H]- | 517.07034 | 213.8 |
[M]+ | 496.09512 | 219.7 |
[M]- | 496.09622 | 219.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.