CID 118796428

4-chloro-2,5-dimethoxy-n-((2-methoxyphenyl)methyl)benzeneethanamine

Structural Information

Molecular Formula
C20H27NO3
SMILES
CC1=C(C=C(C(=C1C)OC)CCNCC2=CC=CC=C2OC)OC
InChI
InChI=1S/C20H27NO3/c1-14-15(2)20(24-5)16(12-19(14)23-4)10-11-21-13-17-8-6-7-9-18(17)22-3/h6-9,12,21H,10-11,13H2,1-5H3
InChIKey
VDAUMFACIMNTDA-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

329.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 180.5
[M+Na]+ 352.188318 187.9
[M-H]- 328.191824 187.5
[M+NH4]+ 347.232923 195.0
[M+K]+ 368.162258 184.6
[M+H-H2O]+ 312.196360 171.9
[M+HCOO]- 374.197301 204.4
[M+CH3COO]- 388.212951 216.9
[M+Na-2H]- 350.173766 182.1
[M]+ 329.19855142 187.2
[M]- 329.19964858 187.2
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