CID 14993928

N-palmitoyl leucine

Structural Information

Molecular Formula
C22H43NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)O
InChI
InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1
InChIKey
UEWVQOCQZFYTBW-FQEVSTJZSA-N
Compound name
(2S)-2-(hexadecanoylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

106
Patents

369.32428 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.33156 204.1
[M+Na]+ 392.31350 203.0
[M-H]- 368.31700 200.1
[M+NH4]+ 387.35810 211.4
[M+K]+ 408.28744 200.0
[M+H-H2O]+ 352.32154 196.5
[M+HCOO]- 414.32248 212.6
[M+CH3COO]- 428.33813 224.1
[M+Na-2H]- 390.29895 197.4
[M]+ 369.32373 208.9
[M]- 369.32483 208.9
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