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 179.1
[M+Na]+ 364.15194 185.2
[M-H]- 340.15544 187.5
[M+NH4]+ 359.19654 193.9
[M+K]+ 380.12588 182.8
[M+H-H2O]+ 324.15998 170.2
[M+HCOO]- 386.16092 199.3
[M+CH3COO]- 400.17657 219.8
[M+Na-2H]- 362.13739 180.5
[M]+ 341.16217 181.4
[M]- 341.16327 181.4
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.