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]+ 318.17000 174.3
[M+Na]+ 340.15194 182.4
[M-H]- 316.15544 181.6
[M+NH4]+ 335.19654 189.1
[M+K]+ 356.12588 180.2
[M+H-H2O]+ 300.15998 165.8
[M+HCOO]- 362.16092 199.0
[M+CH3COO]- 376.17657 213.1
[M+Na-2H]- 338.13739 177.0
[M]+ 317.16217 181.7
[M]- 317.16327 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.