CID 75441654

1-[3-(difluoromethoxy)phenyl]-2-[(1-methylpiperidin-4-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C15H22F2N2O2
SMILES
CN1CCC(CC1)NCC(C2=CC(=CC=C2)OC(F)F)O
InChI
InChI=1S/C15H22F2N2O2/c1-19-7-5-12(6-8-19)18-10-14(20)11-3-2-4-13(9-11)21-15(16)17/h2-4,9,12,14-15,18,20H,5-8,10H2,1H3
InChIKey
DWZSFDWDLLTGLA-UHFFFAOYSA-N
Compound name
1-[3-(difluoromethoxy)phenyl]-2-[(1-methylpiperidin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

300.16495 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17223 169.6
[M+Na]+ 323.15417 172.6
[M-H]- 299.15767 169.6
[M+NH4]+ 318.19877 181.7
[M+K]+ 339.12811 169.2
[M+H-H2O]+ 283.16221 159.2
[M+HCOO]- 345.16315 183.7
[M+CH3COO]- 359.17880 204.6
[M+Na-2H]- 321.13962 169.0
[M]+ 300.16440 162.8
[M]- 300.16550 162.8
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

patents stripe