CID 170583329

N-[(2s,3r)-1,3-dihydroxyoctadecan-2-yl]-33-hydroxytritriacontanamide

Structural Information

Molecular Formula
C51H103NO4
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C51H103NO4/c1-2-3-4-5-6-7-8-27-30-33-36-39-42-45-50(55)49(48-54)52-51(56)46-43-40-37-34-31-28-25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-29-32-35-38-41-44-47-53/h49-50,53-55H,2-48H2,1H3,(H,52,56)/t49-,50+/m0/s1
InChIKey
CTDZVCLVWJPUCH-LOYCUKJKSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-33-hydroxytritriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

793.7887 Da
Monoisotopic Mass

21.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 794.79598 310.8
[M+Na]+ 816.77792 311.5
[M-H]- 792.78142 290.8
[M+NH4]+ 811.82252 305.7
[M+K]+ 832.75186 318.9
[M+H-H2O]+ 776.78596 305.5
[M+HCOO]- 838.78690 300.3
[M+CH3COO]- 852.80255 301.1
[M+Na-2H]- 814.76337 285.8
[M]+ 793.78815 305.3
[M]- 793.78925 305.3
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.