CID 86990

N2,n2-dimethyl-n6-palmitoyl-dl-lysine

Structural Information

Molecular Formula
C24H48N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C24H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-21-18-17-19-22(24(28)29)26(2)3/h22H,4-21H2,1-3H3,(H,25,27)(H,28,29)/t22-/m0/s1
InChIKey
CEHMUNRRTVABKG-QFIPXVFZSA-N
Compound name
(2S)-2-(dimethylamino)-6-(hexadecanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.3665 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.373776 216.1
[M+Na]+ 435.355718 213.6
[M-H]- 411.359224 222.1
[M+NH4]+ 430.400323 229.5
[M+K]+ 451.329658 211.2
[M+H-H2O]+ 395.363760 207.3
[M+HCOO]- 457.364701 228.2
[M+CH3COO]- 471.380351 237.5
[M+Na-2H]- 433.341166 209.2
[M]+ 412.36595142 222.7
[M]- 412.36704858 222.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.