CID 365770

Nsc633842

Structural Information

Molecular Formula
C18H23NO4
SMILES
CNCC1=C(C=CC(=C1)OC)C2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C18H23NO4/c1-19-11-12-10-13(20-2)6-7-14(12)15-8-9-16(21-3)18(23-5)17(15)22-4/h6-10,19H,11H2,1-5H3
InChIKey
HKKDOYKSNKVMKB-UHFFFAOYSA-N
Compound name
1-[5-methoxy-2-(2,3,4-trimethoxyphenyl)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 174.3
[M+Na]+ 340.151938 182.4
[M-H]- 316.155444 181.6
[M+NH4]+ 335.196543 189.1
[M+K]+ 356.125878 180.2
[M+H-H2O]+ 300.159980 165.8
[M+HCOO]- 362.160921 199.0
[M+CH3COO]- 376.176571 213.1
[M+Na-2H]- 338.137386 177.0
[M]+ 317.16217142 181.7
[M]- 317.16326858 181.7
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.