CID 72211063

38786-59-3

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CCOC(=O)CC1=NC2=C(N1)C=C(C=C2)OC
InChI
InChI=1S/C12H14N2O3/c1-3-17-12(15)7-11-13-9-5-4-8(16-2)6-10(9)14-11/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKey
FWZHEKIYOSUUEX-UHFFFAOYSA-N
Compound name
ethyl 2-(6-methoxy-1H-benzimidazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 150.8
[M+Na]+ 257.08967 160.6
[M-H]- 233.09317 152.0
[M+NH4]+ 252.13427 168.5
[M+K]+ 273.06361 157.5
[M+H-H2O]+ 217.09771 143.6
[M+HCOO]- 279.09865 172.2
[M+CH3COO]- 293.11430 188.0
[M+Na-2H]- 255.07512 156.0
[M]+ 234.09990 155.6
[M]- 234.10100 155.6
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

No patent data available for this compound.