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

64
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 179.0
[M+Na]+ 354.16756 185.7
[M-H]- 330.17106 185.7
[M+NH4]+ 349.21216 192.9
[M+K]+ 370.14150 183.2
[M+H-H2O]+ 314.17560 170.0
[M+HCOO]- 376.17654 203.4
[M+CH3COO]- 390.19219 214.8
[M+Na-2H]- 352.15301 181.9
[M]+ 331.17779 186.3
[M]- 331.17889 186.3
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.