CID 1733080

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

Structural Information

Molecular Formula
C19H17NO3
SMILES
CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H17NO3/c1-3-23-12-17-15-6-4-5-7-16(15)18(21)20(19(17)22)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3/b17-12+
InChIKey
TVUWMRNEJNELGL-SFQUDFHCSA-N
Compound name
(4E)-4-(ethoxymethylidene)-2-(4-methylphenyl)isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 171.2
[M+Na]+ 330.11007 180.2
[M-H]- 306.11357 177.6
[M+NH4]+ 325.15467 186.0
[M+K]+ 346.08401 174.8
[M+H-H2O]+ 290.11811 162.3
[M+HCOO]- 352.11905 190.5
[M+CH3COO]- 366.13470 207.1
[M+Na-2H]- 328.09552 174.2
[M]+ 307.12030 172.3
[M]- 307.12140 172.3
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.