CID 2761588
403661-79-0
Structural Information
- Molecular Formula
- C25H22BrNO4
- SMILES
- C1=CC=C(C(=C1)C[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Br
- InChI
- InChI=1S/C25H22BrNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m0/s1
- InChIKey
- WLVUAXHMNMNOKU-KRWDZBQOSA-N
- Compound name
- (3S)-4-(2-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 480.08048 | 211.5 |
[M+Na]+ | 502.06242 | 218.0 |
[M-H]- | 478.06592 | 220.0 |
[M+NH4]+ | 497.10702 | 224.9 |
[M+K]+ | 518.03636 | 206.1 |
[M+H-H2O]+ | 462.07046 | 209.1 |
[M+HCOO]- | 524.07140 | 227.0 |
[M+CH3COO]- | 538.08705 | 231.1 |
[M+Na-2H]- | 500.04787 | 211.9 |
[M]+ | 479.07265 | 231.2 |
[M]- | 479.07375 | 231.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.