CID 146035672

C16:1 ceramide-d7

Structural Information

Molecular Formula
C34H65NO3
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCC)O
InChI
InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,27,29,32-33,36-37H,3-13,15,17-26,28,30-31H2,1-2H3,(H,35,38)/b16-14-,29-27+/t32-,33+/m0/s1/i1D3,3D2,5D2
InChIKey
ZXPULTKTJOBQPE-NWGIQDPJSA-N
Compound name
(Z)-N-[(E,2S,3R)-16,16,17,17,18,18,18-heptadeuterio-1,3-dihydroxyoctadec-4-en-2-yl]hexadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.5404 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.54768 242.2
[M+Na]+ 565.52962 246.8
[M-H]- 541.53312 232.6
[M+NH4]+ 560.57422 240.9
[M+K]+ 581.50356 249.5
[M+H-H2O]+ 525.53766 234.9
[M+HCOO]- 587.53860 244.9
[M+CH3COO]- 601.55425 255.7
[M+Na-2H]- 563.51507 226.5
[M]+ 542.53985 241.9
[M]- 542.54095 241.9
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

No patent data available for this compound.