CID 171120232

(2r)-n-[(2s,3s,4r)-3,4-dihydroxy-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytricosanamide

Structural Information

Molecular Formula
C53H103NO15
SMILES
CCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C53H103NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-41(57)51(65)54-39(44(58)40(56)34-32-30-28-26-24-16-14-12-10-8-6-4-2)37-66-52-50(64)48(62)46(60)43(69-52)38-67-53-49(63)47(61)45(59)42(36-55)68-53/h39-50,52-53,55-64H,3-38H2,1-2H3,(H,54,65)/t39-,40+,41+,42+,43+,44-,45-,46+,47-,48-,49+,50+,52+,53-/m0/s1
InChIKey
JPAYSWCIDZKMLF-BQIOMQIMSA-N
Compound name
(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytricosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

993.7328 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 994.74008 311.0
[M+Na]+ 1016.7220 309.8
[M-H]- 992.72552 307.3
[M+NH4]+ 1011.7666 310.2
[M+K]+ 1032.6960 304.4
[M+H-H2O]+ 976.73006 297.6
[M+HCOO]- 1038.7310 310.5
[M+CH3COO]- 1052.7467 324.5
[M+Na-2H]- 1014.7075 340.2
[M]+ 993.73225 317.3
[M]- 993.73335 317.3
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.