CID 3001708

Chembl60339

Structural Information

Molecular Formula
C18H15N5O
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)N
InChI
InChI=1S/C18H15N5O/c19-12-4-1-10(2-5-12)15-7-8-16(24-15)18-22-13-6-3-11(17(20)21)9-14(13)23-18/h1-9H,19H2,(H3,20,21)(H,22,23)
InChIKey
FPLVVLOQPAJKFE-UHFFFAOYSA-N
Compound name
2-[5-(4-aminophenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.12766 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13494 170.9
[M+Na]+ 340.11688 179.8
[M-H]- 316.12038 179.6
[M+NH4]+ 335.16148 183.9
[M+K]+ 356.09082 173.9
[M+H-H2O]+ 300.12492 162.3
[M+HCOO]- 362.12586 194.3
[M+CH3COO]- 376.14151 182.1
[M+Na-2H]- 338.10233 173.9
[M]+ 317.12711 168.9
[M]- 317.12821 168.9
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.