CID 9567646

Chembl165989

Structural Information

Molecular Formula
C17H16N6O
SMILES
C1=CC(=CC=C1C(=N)N)N/N=C/C2=CC3=C(O2)C=CC(=C3)C(=N)N
InChI
InChI=1S/C17H16N6O/c18-16(19)10-1-4-13(5-2-10)23-22-9-14-8-12-7-11(17(20)21)3-6-15(12)24-14/h1-9,23H,(H3,18,19)(H3,20,21)/b22-9+
InChIKey
OXIVHSGNRKTDDU-LSFURLLWSA-N
Compound name
2-[(E)-[(4-carbamimidoylphenyl)hydrazinylidene]methyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.13855 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14583 172.9
[M+Na]+ 343.12777 178.8
[M-H]- 319.13127 182.4
[M+NH4]+ 338.17237 186.7
[M+K]+ 359.10171 175.2
[M+H-H2O]+ 303.13581 163.8
[M+HCOO]- 365.13675 202.1
[M+CH3COO]- 379.15240 225.4
[M+Na-2H]- 341.11322 178.6
[M]+ 320.13800 169.9
[M]- 320.13910 169.9
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.