PubChemLite - Einecs 303-260-6 (C20H19F25N2O)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNCC(CC(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)O

InChI

InChI=1S/C20H19F25N2O/c1-47(2)5-3-4-46-7-8(48)6-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h8,46,48H,3-7H2,1-2H3

InChIKey

TXTCMAJARJFSCQ-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)propylamino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadecan-2-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	779.11708	215.9
[M+Na]+	801.09902	220.2
[M-H]-	777.10252	229.4
[M+NH4]+	796.14362	227.9
[M+K]+	817.07296	235.0
[M+H-H2O]+	761.10706	201.6
[M+HCOO]-	823.10800	226.6
[M+CH3COO]-	837.12365	277.9
[M+Na-2H]-	799.08447	215.0
[M]+	778.10925	210.8
[M]-	778.11035	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

779.11708

215.9

[M+Na]+

801.09902

220.2

[M-H]-

777.10252

229.4

[M+NH4]+

796.14362

227.9

[M+K]+

817.07296

235.0

[M+H-H2O]+

761.10706

201.6

[M+HCOO]-

823.10800

226.6

[M+CH3COO]-

837.12365

277.9

[M+Na-2H]-

799.08447

215.0

[M]+

778.10925

210.8

[M]-

778.11035

210.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Einecs 303-260-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe