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]+ 233.09208 149.2
[M+Na]+ 255.07402 159.4
[M-H]- 231.07752 152.0
[M+NH4]+ 250.11862 167.6
[M+K]+ 271.04796 157.1
[M+H-H2O]+ 215.08206 142.0
[M+HCOO]- 277.08300 171.3
[M+CH3COO]- 291.09865 190.6
[M+Na-2H]- 253.05947 153.7
[M]+ 232.08425 154.6
[M]- 232.08535 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.