CID 203427

Leucine, n-stearoyl-, l-

Structural Information

Molecular Formula
C24H47NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)O
InChI
InChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21(2)3/h21-22H,4-20H2,1-3H3,(H,25,26)(H,27,28)/t22-/m0/s1
InChIKey
FTIQEVPFMLQJJT-QFIPXVFZSA-N
Compound name
(2S)-4-methyl-2-(octadecanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
Patents

397.3556 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.36288 208.9
[M+Na]+ 420.34482 212.2
[M+NH4]+ 415.38942 221.9
[M+K]+ 436.31876 220.9
[M-H]- 396.34832 212.2
[M+Na-2H]- 418.33027 205.4
[M]+ 397.35505 207.7
[M]- 397.35615 207.7
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