CID 2166009

39215-52-6

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)C
InChI
InChI=1S/C12H18N2O4/c1-3-18-10(16)7-5-4-6-9(15)11-8(2)13-12(17)14-11/h3-7H2,1-2H3,(H2,13,14,17)
InChIKey
QKLTUZKTQSIWKO-UHFFFAOYSA-N
Compound name
ethyl 6-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-6-oxohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

254.12666 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 158.0
[M+Na]+ 277.115878 165.1
[M-H]- 253.119384 156.3
[M+NH4]+ 272.160483 172.9
[M+K]+ 293.089818 162.0
[M+H-H2O]+ 237.123920 151.0
[M+HCOO]- 299.124861 176.1
[M+CH3COO]- 313.140511 189.8
[M+Na-2H]- 275.101326 157.6
[M]+ 254.12611142 160.0
[M]- 254.12720858 160.0
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