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 215.2
[M+Na]+ 460.30334 212.6
[M-H]- 436.30684 210.4
[M+NH4]+ 455.34794 221.0
[M+K]+ 476.27728 208.4
[M+H-H2O]+ 420.31138 206.6
[M+HCOO]- 482.31232 226.5
[M+CH3COO]- 496.32797 227.8
[M+Na-2H]- 458.28879 207.9
[M]+ 437.31357 216.7
[M]- 437.31467 216.7
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