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]+ 252.11315 155.6
[M+Na]+ 274.09509 164.7
[M-H]- 250.09859 159.6
[M+NH4]+ 269.13969 171.6
[M+K]+ 290.06903 158.6
[M+H-H2O]+ 234.10313 147.2
[M+HCOO]- 296.10407 177.4
[M+CH3COO]- 310.11972 167.5
[M+Na-2H]- 272.08054 161.1
[M]+ 251.10532 154.6
[M]- 251.10642 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.