CID 6454263

N6-(1-oxotetradecyl)-l-lysine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
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

No literature data available for this compound.

Patent stripe

patents stripe