CID 1733080

331949-98-5

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]+ 308.128126 171.2
[M+Na]+ 330.110068 180.2
[M-H]- 306.113574 177.6
[M+NH4]+ 325.154673 186.0
[M+K]+ 346.084008 174.8
[M+H-H2O]+ 290.118110 162.3
[M+HCOO]- 352.119051 190.5
[M+CH3COO]- 366.134701 207.1
[M+Na-2H]- 328.095516 174.2
[M]+ 307.12030142 172.3
[M]- 307.12139858 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.