CID 459929

216308-19-9

Structural Information

Molecular Formula
C19H16N6O
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)C(=N)N
InChI
InChI=1S/C19H16N6O/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25)
InChIKey
LXJNJISEUJIGFP-UHFFFAOYSA-N
Compound name
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

21
Patents

344.13855 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14583 177.9
[M+Na]+ 367.12777 185.3
[M-H]- 343.13127 186.7
[M+NH4]+ 362.17237 189.2
[M+K]+ 383.10171 179.6
[M+H-H2O]+ 327.13581 169.1
[M+HCOO]- 389.13675 201.2
[M+CH3COO]- 403.15240 188.1
[M+Na-2H]- 365.11322 180.3
[M]+ 344.13800 174.5
[M]- 344.13910 174.5
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.