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]+ 299.15208 170.7
[M+Na]+ 321.13402 177.2
[M-H]- 297.13752 174.8
[M+NH4]+ 316.17862 185.3
[M+K]+ 337.10796 172.6
[M+H-H2O]+ 281.14206 162.9
[M+HCOO]- 343.14300 185.2
[M+CH3COO]- 357.15865 205.4
[M+Na-2H]- 319.11947 171.2
[M]+ 298.14425 171.1
[M]- 298.14535 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.