CID 138394445

N-betaine propyl perfluorododecane amide

Structural Information

Molecular Formula
C19H16F23N2O3
SMILES
C[N+](C)(CCCNC(=O)C(C(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)(F)F)CC(=O)O
InChI
InChI=1S/C19H15F23N2O3/c1-44(2,6-7(45)46)5-3-4-43-8(47)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)18(38,39)19(40,41)42/h3-6H2,1-2H3,(H-,43,45,46,47)/p+1
InChIKey
WLNBQAVMIDCSHA-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

757.07935 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 758.08663 152.7
[M+Na]+ 780.06857 152.8
[M+NH4]+ 775.11317 152.8
[M+K]+ 796.04251 152.8
[M-H]- 756.07207 152.7
[M+Na-2H]- 778.05402 152.7
[M]+ 757.07880 152.8
[M]- 757.07990 152.8
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.