CID 162396556

Dtxsid401032515

Structural Information

Molecular Formula
C20H22F17N2O3
SMILES
C[N+](C)(C)CCCNC(=O)C=CC(=O)OCCC(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/C20H21F17N2O3/c1-39(2,3)9-4-8-38-11(40)5-6-12(41)42-10-7-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h5-6H,4,7-10H2,1-3H3/p+1
InChIKey
RRLHKZDJLGXCHV-UHFFFAOYSA-O
Compound name
3-[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-4-oxobut-2-enoyl]amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

661.1359 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.14318 222.2
[M+Na]+ 684.12512 228.7
[M-H]- 660.12862 236.5
[M+NH4]+ 679.16972 235.6
[M+K]+ 700.09906 237.4
[M+H-H2O]+ 644.13316 206.1
[M+HCOO]- 706.13410 238.3
[M+CH3COO]- 720.14975 260.6
[M+Na-2H]- 682.11057 217.5
[M]+ 661.13535 217.1
[M]- 661.13645 217.1
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.