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]+ 265.097146 158.5
[M+Na]+ 287.079088 171.9
[M-H]- 263.082594 163.8
[M+NH4]+ 282.123693 177.9
[M+K]+ 303.053028 167.2
[M+H-H2O]+ 247.087130 152.4
[M+HCOO]- 309.088071 179.0
[M+CH3COO]- 323.103721 172.2
[M+Na-2H]- 285.064536 163.9
[M]+ 264.08932142 164.6
[M]- 264.09041858 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.