CID 3058522

(+-)-1,2,3,4-tetrahydro-7,10,11-trimethoxy-6-oxo-2,8a-methano-6h-dibenz(c,e)azocine hcl

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=C(C=C2CC(CCC2=C1)NCC3=CC(=O)C(=O)C=C3)OC
InChI
InChI=1S/C19H21NO4/c1-23-18-9-13-4-5-15(8-14(13)10-19(18)24-2)20-11-12-3-6-16(21)17(22)7-12/h3,6-7,9-10,15,20H,4-5,8,11H2,1-2H3
InChIKey
INLUNVFXYQRGLN-UHFFFAOYSA-N
Compound name
4-[[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 176.2
[M+Na]+ 350.13628 189.1
[M+NH4]+ 345.18088 183.8
[M+K]+ 366.11022 181.5
[M-H]- 326.13978 180.8
[M+Na-2H]- 348.12173 182.0
[M]+ 327.14651 179.2
[M]- 327.14761 179.2
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.