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]+ 318.134936 170.9
[M+Na]+ 340.116878 179.8
[M-H]- 316.120384 179.6
[M+NH4]+ 335.161483 183.9
[M+K]+ 356.090818 173.9
[M+H-H2O]+ 300.124920 162.3
[M+HCOO]- 362.125861 194.3
[M+CH3COO]- 376.141511 182.1
[M+Na-2H]- 338.102326 173.9
[M]+ 317.12711142 168.9
[M]- 317.12820858 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

literature stripe

Patent stripe

No patent data available for this compound.