CID 170989342

5-amino-2-(3-hydroxy-13-methyltetradecanamido) pentanoic acid

Structural Information

Molecular Formula
C20H40N2O4
SMILES
CC(C)CCCCCCCCCC(CC(=O)NC(CCCN)C(=O)O)O
InChI
InChI=1S/C20H40N2O4/c1-16(2)11-8-6-4-3-5-7-9-12-17(23)15-19(24)22-18(20(25)26)13-10-14-21/h16-18,23H,3-15,21H2,1-2H3,(H,22,24)(H,25,26)
InChIKey
CEHRCHKUTZADMT-UHFFFAOYSA-N
Compound name
5-amino-2-[(3-hydroxy-13-methyltetradecanoyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2988 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.30608 201.5
[M+Na]+ 395.28802 199.6
[M-H]- 371.29152 196.0
[M+NH4]+ 390.33262 205.9
[M+K]+ 411.26196 197.4
[M+H-H2O]+ 355.29606 193.8
[M+HCOO]- 417.29700 203.0
[M+CH3COO]- 431.31265 223.5
[M+Na-2H]- 393.27347 193.5
[M]+ 372.29825 202.5
[M]- 372.29935 202.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.