CID 29407

1-(4-ethoxyphenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C=CC2=O
InChI
InChI=1S/C12H11NO3/c1-2-16-10-5-3-9(4-6-10)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3
InChIKey
HLQZPKWGAFLVHJ-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

217.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.4
[M+Na]+ 240.06312 153.9
[M-H]- 216.06662 150.5
[M+NH4]+ 235.10772 163.6
[M+K]+ 256.03706 151.3
[M+H-H2O]+ 200.07116 137.4
[M+HCOO]- 262.07210 168.6
[M+CH3COO]- 276.08775 186.7
[M+Na-2H]- 238.04857 148.0
[M]+ 217.07335 146.7
[M]- 217.07445 146.7
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.