CID 45792212

Ethyl 2-(1-methyl-1h-1,3-benzodiazol-2-yl)-2-oxoacetate

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCOC(=O)C(=O)C1=NC2=CC=CC=C2N1C
InChI
InChI=1S/C12H12N2O3/c1-3-17-12(16)10(15)11-13-8-6-4-5-7-9(8)14(11)2/h4-7H,3H2,1-2H3
InChIKey
AMIFGCQYKGXJLU-UHFFFAOYSA-N
Compound name
ethyl 2-(1-methylbenzimidazol-2-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 149.2
[M+Na]+ 255.074018 159.4
[M-H]- 231.077524 152.0
[M+NH4]+ 250.118623 167.6
[M+K]+ 271.047958 157.1
[M+H-H2O]+ 215.082060 142.0
[M+HCOO]- 277.083001 171.3
[M+CH3COO]- 291.098651 190.6
[M+Na-2H]- 253.059466 153.7
[M]+ 232.08425142 154.6
[M]- 232.08534858 154.6
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

No patent data available for this compound.