CID 3064190

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

Structural Information

Molecular Formula
C16H25ClN2O2
SMILES
CC1CCCN(C1)CCCOC2=C(C=C(C=C2Cl)N)OC
InChI
InChI=1S/C16H25ClN2O2/c1-12-5-3-6-19(11-12)7-4-8-21-16-14(17)9-13(18)10-15(16)20-2/h9-10,12H,3-8,11,18H2,1-2H3
InChIKey
LGCOQOVCNSXNJV-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxy-4-[3-(3-methylpiperidin-1-yl)propoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16046 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16774 175.2
[M+Na]+ 335.14968 181.3
[M-H]- 311.15318 179.1
[M+NH4]+ 330.19428 189.2
[M+K]+ 351.12362 176.4
[M+H-H2O]+ 295.15772 167.2
[M+HCOO]- 357.15866 189.4
[M+CH3COO]- 371.17431 208.4
[M+Na-2H]- 333.13513 175.1
[M]+ 312.15991 176.0
[M]- 312.16101 176.0
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.