CID 3051222

1-butanamine, 4-(2-((2-methoxyphenyl)methyl)phenoxy)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H25NO2
SMILES
CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2OC
InChI
InChI=1S/C19H25NO2/c1-20-13-7-8-14-22-19-12-6-4-10-17(19)15-16-9-3-5-11-18(16)21-2/h3-6,9-12,20H,7-8,13-15H2,1-2H3
InChIKey
OANSMNDGFAVDTM-UHFFFAOYSA-N
Compound name
4-[2-[(2-methoxyphenyl)methyl]phenoxy]-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

299.18854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 173.0
[M+Na]+ 322.17776 178.2
[M-H]- 298.18126 178.9
[M+NH4]+ 317.22236 187.8
[M+K]+ 338.15170 174.2
[M+H-H2O]+ 282.18580 164.2
[M+HCOO]- 344.18674 197.1
[M+CH3COO]- 358.20239 208.2
[M+Na-2H]- 320.16321 177.2
[M]+ 299.18799 176.6
[M]- 299.18909 176.6
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