CID 327215

Nsc301428

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂

SMILES

CC1=CC(=C2C=CC(=CC2=N1)N(C)C)Cl

InChI

InChI=1S/C12H13ClN2/c1-8-6-11(13)10-5-4-9(15(2)3)7-12(10)14-8/h4-7H,1-3H3

InChIKey

DWXPSBGKEMNITB-UHFFFAOYSA-N

Compound name

4-chloro-N,N,2-trimethylquinolin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 220.07672 Da
Monoisotopic Mass: 3.3
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]+	221.08400	146.4
[M+Na]+	243.06594	156.9
[M-H]-	219.06944	151.3
[M+NH4]+	238.11054	166.5
[M+K]+	259.03988	152.8
[M+H-H2O]+	203.07398	140.0
[M+HCOO]-	265.07492	165.4
[M+CH3COO]-	279.09057	195.9
[M+Na-2H]-	241.05139	153.2
[M]+	220.07617	150.4
[M]-	220.07727	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe