CID 459460

Alpha-(5-amino-2-benzimidazolyl)acetophenone

Structural Information

Molecular Formula
C15H13N3O
SMILES
C1=CC=C(C=C1)C(=O)CC2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C15H13N3O/c16-11-6-7-12-13(8-11)18-15(17-12)9-14(19)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,17,18)
InChIKey
WGQRABCASNWLGG-UHFFFAOYSA-N
Compound name
2-(6-amino-1H-benzimidazol-2-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.113146 155.6
[M+Na]+ 274.095088 164.7
[M-H]- 250.098594 159.6
[M+NH4]+ 269.139693 171.6
[M+K]+ 290.069028 158.6
[M+H-H2O]+ 234.103130 147.2
[M+HCOO]- 296.104071 177.4
[M+CH3COO]- 310.119721 167.5
[M+Na-2H]- 272.080536 161.1
[M]+ 251.10532142 154.6
[M]- 251.10641858 154.6
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.