CID 335811

Methyl 4-(1h-benzimidazol-2-ylmethoxy)benzoate

Structural Information

Molecular Formula
C16H14N2O3
SMILES
COC(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H14N2O3/c1-20-16(19)11-6-8-12(9-7-11)21-10-15-17-13-4-2-3-5-14(13)18-15/h2-9H,10H2,1H3,(H,17,18)
InChIKey
XROQRGQDRHXZLT-UHFFFAOYSA-N
Compound name
methyl 4-(1H-benzimidazol-2-ylmethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.0
[M+Na]+ 305.08965 172.1
[M-H]- 281.09315 167.3
[M+NH4]+ 300.13425 178.1
[M+K]+ 321.06359 167.5
[M+H-H2O]+ 265.09769 154.2
[M+HCOO]- 327.09863 184.3
[M+CH3COO]- 341.11428 174.8
[M+Na-2H]- 303.07510 168.3
[M]+ 282.09988 166.5
[M]- 282.10098 166.5
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.