CID 50211

68524-18-5

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCCCOC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C
InChI
InChI=1S/C14H18N2O3/c1-3-4-9-19-11-7-5-10(6-8-11)14(2)12(17)15-13(18)16-14/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17,18)
InChIKey
QVVCPCUAQMNMNT-UHFFFAOYSA-N
Compound name
5-(4-butoxyphenyl)-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

262.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 159.9
[M+Na]+ 285.120958 167.6
[M-H]- 261.124464 161.4
[M+NH4]+ 280.165563 176.4
[M+K]+ 301.094898 163.0
[M+H-H2O]+ 245.129000 152.8
[M+HCOO]- 307.129941 177.6
[M+CH3COO]- 321.145591 190.5
[M+Na-2H]- 283.106406 161.8
[M]+ 262.13119142 158.7
[M]- 262.13228858 158.7
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