CID 11452049

Chembl239072

Structural Information

Molecular Formula
C23H24N4O2
SMILES
C1=CC2=C(C=C1C(=N)N)OC(=C2)CCCCCC3=CC4=C(O3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C23H24N4O2/c24-22(25)16-8-6-14-10-18(28-20(14)12-16)4-2-1-3-5-19-11-15-7-9-17(23(26)27)13-21(15)29-19/h6-13H,1-5H2,(H3,24,25)(H3,26,27)
InChIKey
RIMJICZMVZJPME-UHFFFAOYSA-N
Compound name
2-[5-(6-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

388.1899 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 196.1
[M+Na]+ 411.17912 203.0
[M-H]- 387.18262 206.1
[M+NH4]+ 406.22372 208.8
[M+K]+ 427.15306 198.9
[M+H-H2O]+ 371.18716 188.5
[M+HCOO]- 433.18810 220.6
[M+CH3COO]- 447.20375 206.2
[M+Na-2H]- 409.16457 198.2
[M]+ 388.18935 198.9
[M]- 388.19045 198.9
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

patents stripe