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-methyl-4-pyridinyl)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]+ 289.146576 168.4
[M+Na]+ 311.128518 175.4
[M-H]- 287.132024 174.5
[M+NH4]+ 306.173123 183.9
[M+K]+ 327.102458 170.5
[M+H-H2O]+ 271.136560 159.9
[M+HCOO]- 333.137501 186.3
[M+CH3COO]- 347.153151 208.7
[M+Na-2H]- 309.113966 171.4
[M]+ 288.13875142 171.9
[M]- 288.13984858 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.