CID 3064188

1-(2-(4-amino-2-chloro-6-methoxyphenoxy)ethyl)-3-methylpiperidine hydrochloride

Structural Information

Molecular Formula
C15H23ClN2O2
SMILES
CC1CCCN(C1)CCOC2=C(C=C(C=C2Cl)N)OC
InChI
InChI=1S/C15H23ClN2O2/c1-11-4-3-5-18(10-11)6-7-20-15-13(16)8-12(17)9-14(15)19-2/h8-9,11H,3-7,10,17H2,1-2H3
InChIKey
YBUWLNZYHNUJAC-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxy-4-[2-(3-methylpiperidin-1-yl)ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1448 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.152076 170.7
[M+Na]+ 321.134018 177.2
[M-H]- 297.137524 174.8
[M+NH4]+ 316.178623 185.3
[M+K]+ 337.107958 172.6
[M+H-H2O]+ 281.142060 162.9
[M+HCOO]- 343.143001 185.2
[M+CH3COO]- 357.158651 205.4
[M+Na-2H]- 319.119466 171.2
[M]+ 298.14425142 171.1
[M]- 298.14534858 171.1
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.