CID 16755624

Dihydroceramide

Structural Information

Molecular Formula
C19H39NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC=O)O
InChI
InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)18(16-21)20-17-22/h17-19,21,23H,2-16H2,1H3,(H,20,22)/t18-,19+/m0/s1
InChIKey
XSDVOEIEBUGRQX-RBUKOAKNSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

170
References

1395
Patents

329.293 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.30028 190.7
[M+Na]+ 352.28222 190.4
[M-H]- 328.28572 185.6
[M+NH4]+ 347.32682 202.8
[M+K]+ 368.25616 186.8
[M+H-H2O]+ 312.29026 183.3
[M+HCOO]- 374.29120 207.0
[M+CH3COO]- 388.30685 212.6
[M+Na-2H]- 350.26767 187.5
[M]+ 329.29245 194.5
[M]- 329.29355 194.5
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