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

literature stripe

Patent stripe

patents stripe