CID 2189796

140894-76-4

Structural Information

Molecular Formula
C12H12N2O4
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)N2)OC
InChI
InChI=1S/C12H12N2O4/c1-17-9-4-3-7(6-10(9)18-2)5-8-11(15)14-12(16)13-8/h3-6H,1-2H3,(H2,13,14,15,16)/b8-5-
InChIKey
NKQBXYVAZTZVMV-YVMONPNESA-N
Compound name
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

248.07971 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 153.9
[M+Na]+ 271.068928 162.6
[M-H]- 247.072434 155.8
[M+NH4]+ 266.113533 169.0
[M+K]+ 287.042868 158.2
[M+H-H2O]+ 231.076970 146.6
[M+HCOO]- 293.077911 172.5
[M+CH3COO]- 307.093561 187.0
[M+Na-2H]- 269.054376 154.8
[M]+ 248.07916142 152.6
[M]- 248.08025858 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe