CID 46886493

Chembl1092985

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CC(=O)C1=CC2=C(C=C1)N=C(N2)C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C17H16N2O3/c1-10(20)11-4-7-14-15(8-11)19-17(18-14)13-6-5-12(21-2)9-16(13)22-3/h4-9H,1-3H3,(H,18,19)
InChIKey
SNRZIZVFDAHMPQ-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.123376 167.7
[M+Na]+ 319.105318 178.2
[M-H]- 295.108824 172.7
[M+NH4]+ 314.149923 182.8
[M+K]+ 335.079258 173.4
[M+H-H2O]+ 279.113360 159.3
[M+HCOO]- 341.114301 188.6
[M+CH3COO]- 355.129951 202.0
[M+Na-2H]- 317.090766 171.0
[M]+ 296.11555142 172.5
[M]- 296.11664858 172.5
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.