CID 129627935

Lactoyl phytosphingosine

Structural Information

Molecular Formula
C21H43NO5
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](C(C(=O)C(C)O)O)N)O)O
InChI
InChI=1S/C21H43NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(24)20(26)18(22)21(27)19(25)16(2)23/h16-18,20-21,23-24,26-27H,3-15,22H2,1-2H3/t16?,17-,18-,20-,21?/m1/s1
InChIKey
ZQDHYXRHRFNFDR-LONDADKYSA-N
Compound name
(5R,6S,7R)-5-amino-2,4,6,7-tetrahydroxyhenicosan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

389.31412 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.32140 206.7
[M+Na]+ 412.30334 203.7
[M-H]- 388.30684 198.1
[M+NH4]+ 407.34794 202.2
[M+K]+ 428.27728 201.4
[M+H-H2O]+ 372.31138 199.5
[M+HCOO]- 434.31232 196.2
[M+CH3COO]- 448.32797 221.0
[M+Na-2H]- 410.28879 195.6
[M]+ 389.31357 206.6
[M]- 389.31467 206.6
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