CID 101176
N-benzyloxycarbonyl-l-tryptophan
Structural Information
- Molecular Formula
- C19H18N2O4
- SMILES
- C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O
- InChI
- InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1
- InChIKey
- AHYFYYVVAXRMKB-KRWDZBQOSA-N
- Compound name
- (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.13393 | 177.5 |
[M+Na]+ | 361.11587 | 182.4 |
[M-H]- | 337.11937 | 181.1 |
[M+NH4]+ | 356.16047 | 189.9 |
[M+K]+ | 377.08981 | 177.9 |
[M+H-H2O]+ | 321.12391 | 169.1 |
[M+HCOO]- | 383.12485 | 197.0 |
[M+CH3COO]- | 397.14050 | 206.3 |
[M+Na-2H]- | 359.10132 | 180.1 |
[M]+ | 338.12610 | 178.0 |
[M]- | 338.12720 | 178.0 |