CID 18606615

N-myristoyl lysine

Structural Information

Molecular Formula
C20H40N2O3
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-18(20(24)25)15-13-14-17-21/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKey
DVHIYVOBSKWPJD-SFHVURJKSA-N
Compound name
(2S)-6-amino-2-(tetradecanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

356.3039 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.31118 197.7
[M+Na]+ 379.29312 196.7
[M-H]- 355.29662 193.4
[M+NH4]+ 374.33772 208.7
[M+K]+ 395.26706 193.5
[M+H-H2O]+ 339.30116 189.6
[M+HCOO]- 401.30210 214.8
[M+CH3COO]- 415.31775 222.0
[M+Na-2H]- 377.27857 192.6
[M]+ 356.30335 200.4
[M]- 356.30445 200.4
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