CID 10286015

1h-imidazole-4,5-dicarboxylic acid, 2-propyl-, 4,5-diethyl ester

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CCCC1=NC(=C(N1)C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)
InChIKey
ZQPMIDPIXSMOAD-UHFFFAOYSA-N
Compound name
diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

254.12666 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 158.3
[M+Na]+ 277.115878 165.6
[M-H]- 253.119384 158.0
[M+NH4]+ 272.160483 174.0
[M+K]+ 293.089818 164.1
[M+H-H2O]+ 237.123920 151.1
[M+HCOO]- 299.124861 177.8
[M+CH3COO]- 313.140511 192.3
[M+Na-2H]- 275.101326 158.4
[M]+ 254.12611142 162.8
[M]- 254.12720858 162.8
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

patents stripe