CID 6481857

Ii-galser[f4c11][f6c11] (l)

Structural Information

Molecular Formula
C41H58F22N2O8
SMILES
C(CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCCNC(=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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C41H58F22N2O8/c42-32(43,34(46,47)36(50,51)37(52,53)39(56,57)41(61,62)63)19-15-11-8-4-2-6-10-14-18-26(67)65-24(23-72-31-29(70)28(69)27(68)25(22-66)73-31)30(71)64-21-17-13-9-5-1-3-7-12-16-20-33(44,45)35(48,49)38(54,55)40(58,59)60/h24-25,27-29,31,66,68-70H,1-23H2,(H,64,71)(H,65,67)/t24-,25+,27-,28-,29+,31+/m0/s1
InChIKey
XJYVACCWAIXVMR-QKGQVQKWSA-N
Compound name
12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoro-N-[(2S)-1-(12,12,13,13,14,14,15,15,15-nonafluoropentadecylamino)-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]heptadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1124.3842 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1125.3915 274.4
[M+Na]+ 1147.3734 274.4
[M-H]- 1123.3769 287.3
[M+NH4]+ 1142.4180 284.9
[M+K]+ 1163.3474 292.3
[M+H-H2O]+ 1107.3815 259.3
[M+HCOO]- 1169.3824 279.2
[M+CH3COO]- 1183.3981 318.4
[M+Na-2H]- 1145.3589 263.2
[M]+ 1124.3837 269.8
[M]- 1124.3847 269.8
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.