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

4
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

patents stripe