CID 134722101

Cer(d16:0/22:0)

Structural Information

Molecular Formula
C38H77NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCC)O
InChI
InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
InChIKey
BRMXVFYGZHLLPQ-PQQNNWGCSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

595.59033 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.59761 269.2
[M+Na]+ 618.57955 273.6
[M-H]- 594.58305 253.9
[M+NH4]+ 613.62415 265.9
[M+K]+ 634.55349 275.7
[M+H-H2O]+ 578.58759 266.3
[M+HCOO]- 640.58853 265.3
[M+CH3COO]- 654.60418 267.2
[M+Na-2H]- 616.56500 250.4
[M]+ 595.58978 264.6
[M]- 595.59088 264.6
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.