CID 6481853

I-galser[f6c11] (d,l)

Structural Information

Molecular Formula
C26H39F13N2O7
SMILES
C(CCCCCC(C(C(C(C(C(F)(F)F)(F)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)N
InChI
InChI=1S/C26H39F13N2O7/c27-21(28,22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39)10-8-6-4-2-1-3-5-7-9-11-41-19(46)14(40)13-47-20-18(45)17(44)16(43)15(12-42)48-20/h14-18,20,42-45H,1-13,40H2,(H,41,46)/t14-,15+,16-,17-,18+,20+/m0/s1
InChIKey
MKZSWGWAMNXCJS-DIZFVTOESA-N
Compound name
(2S)-2-amino-N-(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

738.25494 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 739.26222 214.1
[M+Na]+ 761.24416 217.2
[M-H]- 737.24766 223.0
[M+NH4]+ 756.28876 217.7
[M+K]+ 777.21810 224.5
[M+H-H2O]+ 721.25220 202.5
[M+HCOO]- 783.25314 224.5
[M+CH3COO]- 797.26879 276.9
[M+Na-2H]- 759.22961 203.4
[M]+ 738.25439 204.5
[M]- 738.25549 204.5
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.