CID 139594598

3-[[2-[(perfluorodecyl)ethylthio]acetyl]amino]-n,n,n-trimethyl-1-propanaminium

Structural Information

Molecular Formula
C20H22F21N2OS
SMILES
C[N+](C)(C)CCCNC(=O)CSCCC(C(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)(F)F)(F)F
InChI
InChI=1S/C20H21F21N2OS/c1-43(2,3)7-4-6-42-10(44)9-45-8-5-11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)41/h4-9H2,1-3H3/p+1
InChIKey
CQSCGACVKBDGKN-UHFFFAOYSA-O
Compound name
3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)acetyl]amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

737.11176 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.11904 153.2
[M+Na]+ 760.10098 153.2
[M+NH4]+ 755.14558 153.2
[M+K]+ 776.07492 153.2
[M-H]- 736.10448 153.2
[M+Na-2H]- 758.08643 153.1
[M]+ 737.11121 153.2
[M]- 737.11231 153.2
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.