CID 93169

N-(3-methoxypropyl)-3,4,5-trimethoxybenzylamine

Structural Information

Molecular Formula
C14H23NO4
SMILES
COCCCNCC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H23NO4/c1-16-7-5-6-15-10-11-8-12(17-2)14(19-4)13(9-11)18-3/h8-9,15H,5-7,10H2,1-4H3
InChIKey
HUQQTKINPXSDCQ-UHFFFAOYSA-N
Compound name
3-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

269.16272 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 162.0
[M+Na]+ 292.151938 168.8
[M-H]- 268.155444 165.6
[M+NH4]+ 287.196543 178.8
[M+K]+ 308.125878 168.0
[M+H-H2O]+ 252.159980 154.8
[M+HCOO]- 314.160921 186.8
[M+CH3COO]- 328.176571 202.9
[M+Na-2H]- 290.137386 165.8
[M]+ 269.16217142 169.9
[M]- 269.16326858 169.9
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