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]+ 297.12338 167.7
[M+Na]+ 319.10532 178.2
[M-H]- 295.10882 172.7
[M+NH4]+ 314.14992 182.8
[M+K]+ 335.07926 173.4
[M+H-H2O]+ 279.11336 159.3
[M+HCOO]- 341.11430 188.6
[M+CH3COO]- 355.12995 202.0
[M+Na-2H]- 317.09077 171.0
[M]+ 296.11555 172.5
[M]- 296.11665 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.