CID 3058520

75370-39-7

Structural Information

Molecular Formula
C20H23NO4
SMILES
CN(CC1=CC(=O)C(=O)C=C1)C2CCC3=CC(=C(C=C3C2)OC)OC
InChI
InChI=1S/C20H23NO4/c1-21(12-13-4-7-17(22)18(23)8-13)16-6-5-14-10-19(24-2)20(25-3)11-15(14)9-16/h4,7-8,10-11,16H,5-6,9,12H2,1-3H3
InChIKey
AGXMMYIRIWFXQR-UHFFFAOYSA-N
Compound name
4-[[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]methyl]cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 179.7
[M+Na]+ 364.15194 192.6
[M+NH4]+ 359.19654 187.4
[M+K]+ 380.12588 185.4
[M-H]- 340.15544 184.6
[M+Na-2H]- 362.13739 185.6
[M]+ 341.16217 182.9
[M]- 341.16327 182.9
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

No patent data available for this compound.