CID 101148635

N-methyl-n-[(3-octadecyl-2-oxo-5-oxazolidinyl)methyl]perfluoro-1-octanesulfonamide

Structural Information

Molecular Formula
C31H45F17N2O4S
SMILES
CCCCCCCCCCCCCCCCCCN1CC(OC1=O)CN(C)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/C31H45F17N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-50-21-22(54-23(50)51)20-49(2)55(52,53)31(47,48)29(42,43)27(38,39)25(34,35)24(32,33)26(36,37)28(40,41)30(44,45)46/h22H,3-21H2,1-2H3
InChIKey
DPGFRDFZRZYXDD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyl-N-[(3-octadecyl-2-oxo-1,3-oxazolidin-5-yl)methyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

864.28284 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.29012 252.1
[M+Na]+ 887.27206 259.4
[M-H]- 863.27556 260.0
[M+NH4]+ 882.31666 267.4
[M+K]+ 903.24600 271.6
[M+H-H2O]+ 847.28010 242.3
[M+HCOO]- 909.28104 271.3
[M+CH3COO]- 923.29669 294.6
[M+Na-2H]- 885.25751 243.3
[M]+ 864.28229 254.3
[M]- 864.28339 254.3
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.