CID 2366513

2-(3,4-dimethoxyphenyl)-4-(ethoxymethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione

Structural Information

Molecular Formula
C20H19NO5
SMILES
CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H19NO5/c1-4-26-12-16-14-7-5-6-8-15(14)19(22)21(20(16)23)13-9-10-17(24-2)18(11-13)25-3/h5-12H,4H2,1-3H3/b16-12+
InChIKey
OKOZJPGBXRUYLB-FOWTUZBSSA-N
Compound name
(4E)-2-(3,4-dimethoxyphenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.133576 181.5
[M+Na]+ 376.115518 190.4
[M-H]- 352.119024 187.9
[M+NH4]+ 371.160123 194.3
[M+K]+ 392.089458 186.3
[M+H-H2O]+ 336.123560 172.0
[M+HCOO]- 398.124501 200.6
[M+CH3COO]- 412.140151 215.8
[M+Na-2H]- 374.100966 183.5
[M]+ 353.12575142 186.2
[M]- 353.12684858 186.2
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.