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]+ 229.09715 151.6
[M+Na]+ 251.07909 158.7
[M-H]- 227.08259 159.2
[M+NH4]+ 246.12369 169.1
[M+K]+ 267.05303 156.5
[M+H-H2O]+ 211.08713 144.7
[M+HCOO]- 273.08807 176.4
[M+CH3COO]- 287.10372 194.8
[M+Na-2H]- 249.06454 154.4
[M]+ 228.08932 150.3
[M]- 228.09042 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.