CID 139596929

N,n-dimethyl-n-{2-oxo-2-[(propan-2-yl)oxy]ethyl}-3-(perfluorotridecanamido)propan-1-aminium

Structural Information

Molecular Formula
C23H22F25N2O3
SMILES
CC(C)OC(=O)C[N+](C)(C)CCCNC(=O)C(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)(F)F
InChI
InChI=1S/C23H21F25N2O3/c1-9(2)53-10(51)8-50(3,4)7-5-6-49-11(52)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)20(40,41)21(42,43)22(44,45)23(46,47)48/h9H,5-8H2,1-4H3/p+1
InChIKey
RKYVKYKFHBDWJZ-UHFFFAOYSA-O
Compound name
dimethyl-(2-oxo-2-propan-2-yloxyethyl)-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

849.1231 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 850.13038 251.0
[M+Na]+ 872.11232 254.8
[M-H]- 848.11582 268.8
[M+NH4]+ 867.15692 266.7
[M+K]+ 888.08626 269.3
[M+H-H2O]+ 832.12036 233.7
[M+HCOO]- 894.12130 262.8
[M+CH3COO]- 908.13695 279.0
[M+Na-2H]- 870.09777 248.1
[M]+ 849.12255 246.7
[M]- 849.12365 246.7
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.