CID 6481864

Ii-galbae[c24][f6c5](oh)

Structural Information

Molecular Formula
C56H84F26N2O9
SMILES
C(CCCCCCCCCCCCN(CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCCCCCCCN(CCO)C(=O)CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C56H84F26N2O9/c57-45(58,47(61,62)49(65,66)51(69,70)53(73,74)55(77,78)79)29-23-21-27-39(87)83(33-35-85)31-25-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-26-32-84(34-36-92-44-43(91)42(90)41(89)38(37-86)93-44)40(88)28-22-24-30-46(59,60)48(63,64)50(67,68)52(71,72)54(75,76)56(80,81)82/h38,41-44,85-86,89-91H,1-37H2/t38-,41+,42+,43-,44-/m1/s1
InChIKey
UNBHSQFFNDUNAZ-OOUNRVEESA-N
Compound name
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-N-(2-hydroxyethyl)-N-[24-[6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecanoyl-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]amino]tetracosyl]undecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1422.5762 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1423.5835 326.8
[M+Na]+ 1445.5654 325.4
[M-H]- 1421.5689 339.7
[M+NH4]+ 1440.6100 341.2
[M+K]+ 1461.5394 347.9
[M+H-H2O]+ 1405.5735 311.6
[M+HCOO]- 1467.5744 327.0
[M+CH3COO]- 1481.5901 339.3
[M+Na-2H]- 1443.5509 313.9
[M]+ 1422.5757 327.8
[M]- 1422.5767 327.8
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.