CID 47586
Pa-o-benzyl-l-tyrosine sodium
Structural Information
- Molecular Formula
- C24H23NO4
- SMILES
- C1=CC=C(C=C1)CC(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O
- InChI
- InChI=1S/C24H23NO4/c26-23(16-18-7-3-1-4-8-18)25-22(24(27)28)15-19-11-13-21(14-12-19)29-17-20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,25,26)(H,27,28)/t22-/m0/s1
- InChIKey
- WDGLMKPLHMJAIZ-QFIPXVFZSA-N
- Compound name
- (2S)-2-[(2-phenylacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 390.17000 | 194.1 |
[M+Na]+ | 412.15194 | 196.2 |
[M-H]- | 388.15544 | 201.2 |
[M+NH4]+ | 407.19654 | 202.8 |
[M+K]+ | 428.12588 | 191.8 |
[M+H-H2O]+ | 372.15998 | 183.7 |
[M+HCOO]- | 434.16092 | 213.9 |
[M+CH3COO]- | 448.17657 | 220.2 |
[M+Na-2H]- | 410.13739 | 195.1 |
[M]+ | 389.16217 | 193.9 |
[M]- | 389.16327 | 193.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.