N-[3-(dimethylamino)propyl]-perfluorotridecanamide (C18H13F25N2O)

Structural Information

Molecular Formula

SMILES

CN(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/C18H13F25N2O/c1-45(2)5-3-4-44-6(46)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)18(41,42)43/h3-5H2,1-2H3,(H,44,46)

InChIKey

ZHYDCNCENVYPGO-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-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-pentacosafluorotridecanamide

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]+	749.070146	210.8
[M+Na]+	771.052088	216.5
[M-H]-	747.055594	225.6
[M+NH4]+	766.096693	224.6
[M+K]+	787.026028	230.4
[M+H-H2O]+	731.060130	197.5
[M+HCOO]-	793.061071	223.7
[M+CH3COO]-	807.076721	274.6
[M+Na-2H]-	769.037536	211.3
[M]+	748.06232142	206.4
[M]-	748.06341858	206.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

749.070146

210.8

[M+Na]+

771.052088

216.5

[M-H]-

747.055594

225.6

[M+NH4]+

766.096693

224.6

[M+K]+

787.026028

230.4

[M+H-H2O]+

731.060130

197.5

[M+HCOO]-

793.061071

223.7

[M+CH3COO]-

807.076721

274.6

[M+Na-2H]-

769.037536

211.3

[M]+

748.06232142

206.4

[M]-

748.06341858

206.4

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

N-[3-(dimethylamino)propyl]-perfluorotridecanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe