CID 170315540
5-amino-2-(3-hydroxy-14-methylpentadecanamido) pentanoic acid
Structural Information
- Molecular Formula
- C21H42N2O4
- SMILES
- CC(C)CCCCCCCCCCC(CC(=O)NC(CCCN)C(=O)O)O
- InChI
- InChI=1S/C21H42N2O4/c1-17(2)12-9-7-5-3-4-6-8-10-13-18(24)16-20(25)23-19(21(26)27)14-11-15-22/h17-19,24H,3-16,22H2,1-2H3,(H,23,25)(H,26,27)
- InChIKey
- KNRXJYLKEKMAHW-UHFFFAOYSA-N
- Compound name
- 5-amino-2-[(3-hydroxy-14-methylpentadecanoyl)amino]pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 387.32173 | 205.9 |
[M+Na]+ | 409.30367 | 203.5 |
[M-H]- | 385.30717 | 200.1 |
[M+NH4]+ | 404.34827 | 209.4 |
[M+K]+ | 425.27761 | 201.1 |
[M+H-H2O]+ | 369.31171 | 197.9 |
[M+HCOO]- | 431.31265 | 206.2 |
[M+CH3COO]- | 445.32830 | 226.4 |
[M+Na-2H]- | 407.28912 | 197.3 |
[M]+ | 386.31390 | 207.2 |
[M]- | 386.31500 | 207.2 |