CID 118796522

25e-nbome

Structural Information

Molecular Formula
C20H27NO3
SMILES
CCC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC
InChI
InChI=1S/C20H27NO3/c1-5-15-12-20(24-4)16(13-19(15)23-3)10-11-21-14-17-8-6-7-9-18(17)22-2/h6-9,12-13,21H,5,10-11,14H2,1-4H3
InChIKey
PXDVGFGXPVCNAB-UHFFFAOYSA-N
Compound name
2-(4-ethyl-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

329.1991 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 180.7
[M+Na]+ 352.18832 187.2
[M-H]- 328.19182 187.2
[M+NH4]+ 347.23292 194.8
[M+K]+ 368.16226 183.7
[M+H-H2O]+ 312.19636 171.8
[M+HCOO]- 374.19730 204.6
[M+CH3COO]- 388.21295 215.7
[M+Na-2H]- 350.17377 182.9
[M]+ 329.19855 186.9
[M]- 329.19965 186.9
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