CID 3044784

4-(5-amidinofuryl)acetophenone hydrochloride

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=N)N
InChI
InChI=1S/C13H12N2O2/c1-8(16)9-2-4-10(5-3-9)11-6-7-12(17-11)13(14)15/h2-7H,1H3,(H3,14,15)
InChIKey
OGCIQPMPLWNMKK-UHFFFAOYSA-N
Compound name
5-(4-acetylphenyl)furan-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.097146 151.6
[M+Na]+ 251.079088 158.7
[M-H]- 227.082594 159.2
[M+NH4]+ 246.123693 169.1
[M+K]+ 267.053028 156.5
[M+H-H2O]+ 211.087130 144.7
[M+HCOO]- 273.088071 176.4
[M+CH3COO]- 287.103721 194.8
[M+Na-2H]- 249.064536 154.4
[M]+ 228.08932142 150.3
[M]- 228.09041858 150.3
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.