CID 15986769

Salicyloyl phytosphingosine

Structural Information

Molecular Formula
C25H43NO5
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)C1=CC=CC=C1O)O)O
InChI
InChI=1S/C25H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23(29)24(30)21(19-27)26-25(31)20-16-14-15-17-22(20)28/h14-17,21,23-24,27-30H,2-13,18-19H2,1H3,(H,26,31)/t21-,23+,24-/m0/s1
InChIKey
KBHSAMYHDBBRKS-QTJGBDASSA-N
Compound name
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

692
Patents

437.31412 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.32140 214.4
[M+Na]+ 460.30334 218.1
[M+NH4]+ 455.34794 216.1
[M+K]+ 476.27728 214.0
[M-H]- 436.30684 211.5
[M+Na-2H]- 458.28879 212.1
[M]+ 437.31357 213.3
[M]- 437.31467 213.3
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