CID 7131603

4-(ethoxymethylene)isoquinoline-1,3(2h,4h)-dione

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCO/C=C\1/C2=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)/b10-7-
InChIKey
UPFHOYKZRKIAIQ-YFHOEESVSA-N
Compound name
(4Z)-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 146.9
[M+Na]+ 240.06312 159.5
[M+NH4]+ 235.10772 154.1
[M+K]+ 256.03706 153.0
[M-H]- 216.06662 147.5
[M+Na-2H]- 238.04857 151.2
[M]+ 217.07335 148.6
[M]- 217.07445 148.6
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.