CID 11339347
477578-53-3
Structural Information
- Molecular Formula
- C27H25NO4
- SMILES
- C=CC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
- InChI
- InChI=1S/C27H25NO4/c1-2-10-25(26(29)31-17-19-11-4-3-5-12-19)28-27(30)32-18-24-22-15-8-6-13-20(22)21-14-7-9-16-23(21)24/h2-9,11-16,24-25H,1,10,17-18H2,(H,28,30)/t25-/m0/s1
- InChIKey
- NTOCLTIRCOQHPW-VWLOTQADSA-N
- Compound name
- benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 428.18562 | 205.6 |
[M+Na]+ | 450.16756 | 209.1 |
[M-H]- | 426.17106 | 212.8 |
[M+NH4]+ | 445.21216 | 217.8 |
[M+K]+ | 466.14150 | 203.8 |
[M+H-H2O]+ | 410.17560 | 196.3 |
[M+HCOO]- | 472.17654 | 224.7 |
[M+CH3COO]- | 486.19219 | 229.7 |
[M+Na-2H]- | 448.15301 | 205.7 |
[M]+ | 427.17779 | 208.5 |
[M]- | 427.17889 | 208.5 |