CID 6481856

Ii-galser[c14][f4c11] (d,l)

Structural Information

Molecular Formula
C38H65F9N2O8
SMILES
CCCCCCCCCCCCCCNC(=O)[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C38H65F9N2O8/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-48-33(55)27(26-56-34-32(54)31(53)30(52)28(25-50)57-34)49-29(51)22-19-16-13-10-11-14-17-20-23-35(39,40)36(41,42)37(43,44)38(45,46)47/h27-28,30-32,34,50,52-54H,2-26H2,1H3,(H,48,55)(H,49,51)/t27-,28+,30-,31-,32+,34+/m0/s1
InChIKey
NKMCDODNSJSIEG-OKBPZIBBSA-N
Compound name
12,12,13,13,14,14,15,15,15-nonafluoro-N-[(2S)-1-oxo-1-(tetradecylamino)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]pentadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

848.4597 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 849.46698 261.2
[M+Na]+ 871.44892 263.7
[M-H]- 847.45242 265.0
[M+NH4]+ 866.49352 264.9
[M+K]+ 887.42286 272.0
[M+H-H2O]+ 831.45696 252.1
[M+HCOO]- 893.45790 265.2
[M+CH3COO]- 907.47355 300.7
[M+Na-2H]- 869.43437 244.2
[M]+ 848.45915 252.6
[M]- 848.46025 252.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.