PubChemLite - Chlorpheniramine (C16H19ClN2)

Structural Information

Molecular Formula

C₁₆H₁₉ClN₂

SMILES

CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2

InChI

InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3

InChIKey

SOYKEARSMXGVTM-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine

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]+	275.13098	163.9
[M+Na]+	297.11292	170.3
[M-H]-	273.11642	169.8
[M+NH4]+	292.15752	179.7
[M+K]+	313.08686	165.6
[M+H-H2O]+	257.12096	155.4
[M+HCOO]-	319.12190	182.2
[M+CH3COO]-	333.13755	204.6
[M+Na-2H]-	295.09837	168.2
[M]+	274.12315	166.7
[M]-	274.12425	166.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

275.13098

163.9

[M+Na]+

297.11292

170.3

[M-H]-

273.11642

169.8

[M+NH4]+

292.15752

179.7

[M+K]+

313.08686

165.6

[M+H-H2O]+

257.12096

155.4

[M+HCOO]-

319.12190

182.2

[M+CH3COO]-

333.13755

204.6

[M+Na-2H]-

295.09837

168.2

[M]+

274.12315

166.7

[M]-

274.12425

166.7

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

Chlorpheniramine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe