CID 9798946

Phytosphingosine acetamide

Structural Information

Molecular Formula
C20H41NO4
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)C)O)O
InChI
InChI=1S/C20H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)20(25)18(16-22)21-17(2)23/h18-20,22,24-25H,3-16H2,1-2H3,(H,21,23)/t18-,19+,20-/m0/s1
InChIKey
SZUJJDLBXJCDNT-ZCNNSNEGSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

487
Patents

359.30356 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.31084 199.3
[M+Na]+ 382.29278 197.8
[M-H]- 358.29628 192.8
[M+NH4]+ 377.33738 209.4
[M+K]+ 398.26672 194.9
[M+H-H2O]+ 342.30082 192.1
[M+HCOO]- 404.30176 212.1
[M+CH3COO]- 418.31741 216.2
[M+Na-2H]- 380.27823 192.7
[M]+ 359.30301 201.6
[M]- 359.30411 201.6
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