CID 100107
Einecs 252-706-5
Structural Information
- Molecular Formula
- C26H22N2O4
- SMILES
- C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O
- InChI
- InChI=1S/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)
- InChIKey
- MGHMWKZOLAAOTD-UHFFFAOYSA-N
- Compound name
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 427.16524 | 199.3 |
[M+Na]+ | 449.14718 | 204.5 |
[M-H]- | 425.15068 | 205.3 |
[M+NH4]+ | 444.19178 | 211.8 |
[M+K]+ | 465.12112 | 198.6 |
[M+H-H2O]+ | 409.15522 | 191.4 |
[M+HCOO]- | 471.15616 | 216.2 |
[M+CH3COO]- | 485.17181 | 207.4 |
[M+Na-2H]- | 447.13263 | 200.0 |
[M]+ | 426.15741 | 201.4 |
[M]- | 426.15851 | 201.4 |