CID 171116407

Asc c11 ea

Structural Information

Molecular Formula
C19H37NO6
SMILES
C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCC(=O)NCCO)O)O
InChI
InChI=1S/C19H37NO6/c1-14(25-19-17(23)13-16(22)15(2)26-19)9-7-5-3-4-6-8-10-18(24)20-11-12-21/h14-17,19,21-23H,3-13H2,1-2H3,(H,20,24)/t14-,15+,16-,17-,19-/m1/s1
InChIKey
SNCDLKZVCNWFSP-FSNPWBFUSA-N
Compound name
(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2621 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.26938 195.6
[M+Na]+ 398.25132 195.6
[M-H]- 374.25482 193.5
[M+NH4]+ 393.29592 203.9
[M+K]+ 414.22526 194.2
[M+H-H2O]+ 358.25936 188.1
[M+HCOO]- 420.26030 207.3
[M+CH3COO]- 434.27595 217.0
[M+Na-2H]- 396.23677 191.3
[M]+ 375.26155 196.9
[M]- 375.26265 196.9
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.