CID 57501069

2748304-49-4

Structural Information

Molecular Formula
C19H25NO4
SMILES
COC1=CC=CC=C1CNCCC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C19H25NO4/c1-21-16-8-6-5-7-15(16)13-20-10-9-14-11-17(22-2)19(24-4)18(12-14)23-3/h5-8,11-12,20H,9-10,13H2,1-4H3
InChIKey
USPSMWCGHVXKMN-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

331.17834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 180.0
[M+Na]+ 354.16756 193.2
[M+NH4]+ 349.21216 187.0
[M+K]+ 370.14150 185.5
[M-H]- 330.17106 184.4
[M+Na-2H]- 352.15301 187.3
[M]+ 331.17779 183.2
[M]- 331.17889 183.2
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