CID 53411489

18630-93-8

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC=C1C2=CC=CC=C2C(=O)NC1=O
InChI
InChI=1S/C12H11NO3/c1-2-16-7-10-8-5-3-4-6-9(8)11(14)13-12(10)15/h3-7H,2H2,1H3,(H,13,14,15)
InChIKey
UPFHOYKZRKIAIQ-UHFFFAOYSA-N
Compound name
4-(ethoxymethylidene)isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.1
[M+Na]+ 240.06312 153.8
[M-H]- 216.06662 146.9
[M+NH4]+ 235.10772 162.9
[M+K]+ 256.03706 149.6
[M+H-H2O]+ 200.07116 138.6
[M+HCOO]- 262.07210 164.1
[M+CH3COO]- 276.08775 185.1
[M+Na-2H]- 238.04857 150.6
[M]+ 217.07335 144.0
[M]- 217.07445 144.0
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.