CID 138454221

Alpha-n-(3-hydroxyoctadecanoyl)-l-ornithine

Structural Information

Molecular Formula
C23H46N2O4
SMILES
CCCCCCCCCCCCCCCC(CC(=O)N[C@H](CCCN)C(=O)O)O
InChI
InChI=1S/C23H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20(26)19-22(27)25-21(23(28)29)17-15-18-24/h20-21,26H,2-19,24H2,1H3,(H,25,27)(H,28,29)/t20?,21-/m1/s1
InChIKey
IBTDVGGSPBGMJZ-BPGUCPLFSA-N
Compound name
(2R)-5-amino-2-(3-hydroxyoctadecanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

414.34576 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.35304 213.5
[M+Na]+ 437.33498 210.4
[M-H]- 413.33848 213.6
[M+NH4]+ 432.37958 216.4
[M+K]+ 453.30892 207.0
[M+H-H2O]+ 397.34302 205.0
[M+HCOO]- 459.34396 216.3
[M+CH3COO]- 473.35961 231.3
[M+Na-2H]- 435.32043 205.3
[M]+ 414.34521 211.5
[M]- 414.34631 211.5
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