CID 964722

{[4-(benzyloxy)-3-methoxyphenyl]methyl}(methyl)amine hydrochloride

Structural Information

Molecular Formula
C16H19NO2
SMILES
CNCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C16H19NO2/c1-17-11-14-8-9-15(16(10-14)18-2)19-12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKey
GXATYTAAZYUIDJ-UHFFFAOYSA-N
Compound name
1-(3-methoxy-4-phenylmethoxyphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

257.14157 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 159.2
[M+Na]+ 280.130788 165.8
[M-H]- 256.134294 165.8
[M+NH4]+ 275.175393 175.8
[M+K]+ 296.104728 162.5
[M+H-H2O]+ 240.138830 151.1
[M+HCOO]- 302.139771 184.4
[M+CH3COO]- 316.155421 199.2
[M+Na-2H]- 278.116236 165.1
[M]+ 257.14102142 161.9
[M]- 257.14211858 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe