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	164.3
[M+Na]+	297.11292	179.5
[M+NH4]+	292.15752	173.7
[M+K]+	313.08686	170.4
[M-H]-	273.11642	170.0
[M+Na-2H]-	295.09837	174.5
[M]+	274.12315	168.6
[M]-	274.12425	168.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

275.13098

164.3

[M+Na]+

297.11292

179.5

[M+NH4]+

292.15752

173.7

[M+K]+

313.08686

170.4

[M-H]-

273.11642

170.0

[M+Na-2H]-

295.09837

174.5

[M]+

274.12315

168.6

[M]-

274.12425

168.6

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