CID 5702613

N-hexanoylsphingosine

Structural Information

Molecular Formula
C24H47NO3
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCC)O
InChI
InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1
InChIKey
NPRJSFWNFTXXQC-QFWQFVLDSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

185
References

847
Patents

397.3556 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.36288 212.3
[M+Na]+ 420.34482 210.2
[M-H]- 396.34832 206.5
[M+NH4]+ 415.38942 215.6
[M+K]+ 436.31876 205.4
[M+H-H2O]+ 380.35286 204.4
[M+HCOO]- 442.35380 220.6
[M+CH3COO]- 456.36945 226.0
[M+Na-2H]- 418.33027 205.4
[M]+ 397.35505 216.5
[M]- 397.35615 216.5
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