CID 3008659

Methyl 2-(2-thienyl)-1h-benzimidazole-5-carboxylate

Structural Information

Molecular Formula
C13H10N2O2S
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=CS3
InChI
InChI=1S/C13H10N2O2S/c1-17-13(16)8-4-5-9-10(7-8)15-12(14-9)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)
InChIKey
NZNZLEFPASZPRT-UHFFFAOYSA-N
Compound name
methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.0463 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05358 156.2
[M+Na]+ 281.03552 167.7
[M-H]- 257.03902 161.9
[M+NH4]+ 276.08012 175.5
[M+K]+ 297.00946 163.3
[M+H-H2O]+ 241.04356 150.1
[M+HCOO]- 303.04450 174.7
[M+CH3COO]- 317.06015 169.5
[M+Na-2H]- 279.02097 157.4
[M]+ 258.04575 161.1
[M]- 258.04685 161.1
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.