CID 70678884

Cer(d20:0/22:0)

Structural Information

Molecular Formula
C42H85NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1
InChIKey
KYCUWZIFZWDQFK-WVILEFPPSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyicosan-2-yl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

651.65295 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.66023 282.3
[M+Na]+ 674.64217 286.0
[M-H]- 650.64567 265.4
[M+NH4]+ 669.68677 278.8
[M+K]+ 690.61611 289.7
[M+H-H2O]+ 634.65021 278.9
[M+HCOO]- 696.65115 276.8
[M+CH3COO]- 710.66680 278.1
[M+Na-2H]- 672.62762 261.8
[M]+ 651.65240 277.6
[M]- 651.65350 277.6
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

patents stripe