CID 384456

Nsc674258

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16N2O3/c1-12(21)18-19-15-5-3-4-6-16(15)20(18)11-17(22)13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3
InChIKey
SGPGEGNAZBZTRE-UHFFFAOYSA-N
Compound name
2-(2-acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 170.9
[M+Na]+ 331.10532 180.4
[M-H]- 307.10882 176.8
[M+NH4]+ 326.14992 185.7
[M+K]+ 347.07926 176.1
[M+H-H2O]+ 291.11336 162.0
[M+HCOO]- 353.11430 192.2
[M+CH3COO]- 367.12995 206.3
[M+Na-2H]- 329.09077 173.7
[M]+ 308.11555 176.1
[M]- 308.11665 176.1
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.