CID 138396381

117413-27-1

Structural Information

Molecular Formula
C27H41F17N2O8S
SMILES
CCN(CCCN(CCOCCOCCOC)CCOCCOCCOC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C27H41F17N2O8S/c1-4-46(7-5-6-45(8-10-51-16-18-53-14-12-49-2)9-11-52-17-19-54-15-13-50-3)55(47,48)27(43,44)25(38,39)23(34,35)21(30,31)20(28,29)22(32,33)24(36,37)26(40,41)42/h4-19H2,1-3H3
InChIKey
UTHJNVIGBQDMRN-UHFFFAOYSA-N
Compound name
N-[3-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]propyl]-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

876.2312 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 877.23848 156.9
[M+Na]+ 899.22042 157.0
[M+NH4]+ 894.26502 157.1
[M+K]+ 915.19436 157.1
[M-H]- 875.22392 156.9
[M+Na-2H]- 897.20587 156.7
[M]+ 876.23065 157.0
[M]- 876.23175 157.0
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.