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

8
Patents

327.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.227096 182.8
[M+Na]+ 350.209038 187.2
[M-H]- 326.212544 189.8
[M+NH4]+ 345.253643 197.1
[M+K]+ 366.182978 184.2
[M+H-H2O]+ 310.217080 173.3
[M+HCOO]- 372.218021 206.6
[M+CH3COO]- 386.233671 217.5
[M+Na-2H]- 348.194486 185.1
[M]+ 327.21927142 188.4
[M]- 327.22036858 188.4
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