CID 46193546
(2r,4s)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
Structural Information
- Molecular Formula
- C23H29NO4
- SMILES
- C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
- InChI
- InChI=1S/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20+/m1/s1
- InChIKey
- YNELJETWNMPEEH-UZLBHIALSA-N
- Compound name
- (2R,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 384.21694 | 194.9 |
[M+Na]+ | 406.19888 | 196.8 |
[M-H]- | 382.20238 | 199.2 |
[M+NH4]+ | 401.24348 | 204.9 |
[M+K]+ | 422.17282 | 194.2 |
[M+H-H2O]+ | 366.20692 | 186.6 |
[M+HCOO]- | 428.20786 | 211.4 |
[M+CH3COO]- | 442.22351 | 221.0 |
[M+Na-2H]- | 404.18433 | 193.8 |
[M]+ | 383.20911 | 196.1 |
[M]- | 383.21021 | 196.1 |