CID 63942718

[3-(3,5-dimethoxyphenoxy)phenyl]methanamine

Structural Information

Molecular Formula
C15H17NO3
SMILES
COC1=CC(=CC(=C1)OC2=CC=CC(=C2)CN)OC
InChI
InChI=1S/C15H17NO3/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-4-11(6-12)10-16/h3-9H,10,16H2,1-2H3
InChIKey
VQEGZJIUOUXUCX-UHFFFAOYSA-N
Compound name
[3-(3,5-dimethoxyphenoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 158.3
[M+Na]+ 282.11007 166.2
[M-H]- 258.11357 165.0
[M+NH4]+ 277.15467 174.8
[M+K]+ 298.08401 163.5
[M+H-H2O]+ 242.11811 150.4
[M+HCOO]- 304.11905 183.4
[M+CH3COO]- 318.13470 198.9
[M+Na-2H]- 280.09552 163.0
[M]+ 259.12030 161.5
[M]- 259.12140 161.5
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

No patent data available for this compound.