CID 3063778

101581-59-3

Structural Information

Molecular Formula
C17H21ClN2
SMILES
CC1=NC=CC(=C1)C(CCN(C)C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H21ClN2/c1-13-12-15(8-10-19-13)17(9-11-20(2)3)14-4-6-16(18)7-5-14/h4-8,10,12,17H,9,11H2,1-3H3
InChIKey
ZBRZDJXYJZAQGO-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N,N-dimethyl-3-(2-methylpyridin-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1393 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14658 168.4
[M+Na]+ 311.12852 175.4
[M-H]- 287.13202 174.5
[M+NH4]+ 306.17312 183.9
[M+K]+ 327.10246 170.5
[M+H-H2O]+ 271.13656 159.9
[M+HCOO]- 333.13750 186.3
[M+CH3COO]- 347.15315 208.7
[M+Na-2H]- 309.11397 171.4
[M]+ 288.13875 171.9
[M]- 288.13985 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.