CID 459475

1-(2-methyl-3h-benzofuro[2,3-f]benzimidazol-6-yl)ethanone

Structural Information

Molecular Formula
C16H12N2O2
SMILES
CC1=NC2=C(N1)C=C3C(=C2)OC4=C3C=C(C=C4)C(=O)C
InChI
InChI=1S/C16H12N2O2/c1-8(19)10-3-4-15-11(5-10)12-6-13-14(7-16(12)20-15)18-9(2)17-13/h3-7H,1-2H3,(H,17,18)
InChIKey
PFIPYIUQXGWTAU-UHFFFAOYSA-N
Compound name
1-(2-methyl-3H-[1]benzofuro[2,3-f]benzimidazol-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 158.5
[M+Na]+ 287.07909 171.9
[M-H]- 263.08259 163.8
[M+NH4]+ 282.12369 177.9
[M+K]+ 303.05303 167.2
[M+H-H2O]+ 247.08713 152.4
[M+HCOO]- 309.08807 179.0
[M+CH3COO]- 323.10372 172.2
[M+Na-2H]- 285.06454 163.9
[M]+ 264.08932 164.6
[M]- 264.09042 164.6
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.