CID 45922

Di(beta-p-methoxyphenylethyl)amine hydrochloride

Structural Information

Molecular Formula
C18H23NO2
SMILES
COC1=CC=C(C=C1)CCNCCC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H23NO2/c1-20-17-7-3-15(4-8-17)11-13-19-14-12-16-5-9-18(21-2)10-6-16/h3-10,19H,11-14H2,1-2H3
InChIKey
LDYNNMUCKWFGGL-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.17288 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 168.4
[M+Na]+ 308.162098 174.1
[M-H]- 284.165604 174.6
[M+NH4]+ 303.206703 183.8
[M+K]+ 324.136038 170.3
[M+H-H2O]+ 268.170140 159.8
[M+HCOO]- 330.171081 192.9
[M+CH3COO]- 344.186731 205.2
[M+Na-2H]- 306.147546 173.2
[M]+ 285.17233142 171.7
[M]- 285.17342858 171.7
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