CID 25295

Chloropyramine

Structural Information

Molecular Formula

C₁₆H₂₀ClN₃

SMILES

CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2

InChI

InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3

InChIKey

ICKFFNBDFNZJSX-UHFFFAOYSA-N

Compound name

N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 77
References: 1794
Patents: 289.13458 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

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]+	290.141856	168.4
[M+Na]+	312.123798	174.4
[M-H]-	288.127304	175.6
[M+NH4]+	307.168403	183.9
[M+K]+	328.097738	170.5
[M+H-H2O]+	272.131840	159.2
[M+HCOO]-	334.132781	189.2
[M+CH3COO]-	348.148431	212.0
[M+Na-2H]-	310.109246	173.5
[M]+	289.13403142	172.4
[M]-	289.13512858	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe