CID 2325105

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

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H14ClNO3/c1-2-23-11-14-12-7-3-4-8-13(12)17(21)20(18(14)22)16-10-6-5-9-15(16)19/h3-11H,2H2,1H3/b14-11+
InChIKey
YZDIATLXFRUMJE-SDNWHVSQSA-N
Compound name
(4E)-2-(2-chlorophenyl)-4-(ethoxymethylidene)isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06622 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.073496 173.3
[M+Na]+ 350.055438 183.5
[M-H]- 326.058944 179.6
[M+NH4]+ 345.100043 188.1
[M+K]+ 366.029378 176.8
[M+H-H2O]+ 310.063480 165.1
[M+HCOO]- 372.064421 188.4
[M+CH3COO]- 386.080071 207.8
[M+Na-2H]- 348.040886 176.3
[M]+ 327.06567142 176.4
[M]- 327.06676858 176.4
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.