CID 44154286

Benzamide, 4-((4-(((2-(((heptadecafluorooctyl)sulfonyl)propylamino)ethyl)amino)carbonyl)phenyl)methyl)-n-octadecyl-

Structural Information

Molecular Formula
C46H60F17N3O4S
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)NCCN(CCC)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/C46H60F17N3O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-64-37(67)35-24-20-33(21-25-35)32-34-22-26-36(27-23-34)38(68)65-29-31-66(30-4-2)71(69,70)46(62,63)44(57,58)42(53,54)40(49,50)39(47,48)41(51,52)43(55,56)45(59,60)61/h20-27H,3-19,28-32H2,1-2H3,(H,64,67)(H,65,68)
InChIKey
VSMLCKGSLXSQHO-UHFFFAOYSA-N
Compound name
4-[[4-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethylcarbamoyl]phenyl]methyl]-N-octadecylbenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1073.4033 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1074.4106 275.5
[M+Na]+ 1096.3925 282.7
[M-H]- 1072.3960 285.6
[M+NH4]+ 1091.4371 290.6
[M+K]+ 1112.3665 295.7
[M+H-H2O]+ 1056.4006 263.5
[M+HCOO]- 1118.4015 285.8
[M+CH3COO]- 1132.4172 327.8
[M+Na-2H]- 1094.3780 265.4
[M]+ 1073.4028 273.5
[M]- 1073.4038 273.5
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.