CID 3055330

1-butanamine, n,n-dimethyl-4-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C21H29NO2
SMILES
CN(C)CCCCOC1=CC=CC=C1CCC2=CC(=CC=C2)OC
InChI
InChI=1S/C21H29NO2/c1-22(2)15-6-7-16-24-21-12-5-4-10-19(21)14-13-18-9-8-11-20(17-18)23-3/h4-5,8-12,17H,6-7,13-16H2,1-3H3
InChIKey
YHIAICIUPYBMOD-UHFFFAOYSA-N
Compound name
4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

327.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 182.7
[M+Na]+ 350.20904 196.0
[M+NH4]+ 345.25364 190.8
[M+K]+ 366.18298 186.8
[M-H]- 326.21254 188.3
[M+Na-2H]- 348.19449 191.1
[M]+ 327.21927 186.3
[M]- 327.22037 186.3
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