CID 11153457

Chembl238651

Structural Information

Molecular Formula
C23H24N4O2
SMILES
C1=CC2=C(C=C1C(=N)N)C=C(O2)CCCCCC3=CC4=C(O3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C23H24N4O2/c24-22(25)14-6-8-20-16(10-14)12-18(28-20)4-2-1-3-5-19-13-17-11-15(23(26)27)7-9-21(17)29-19/h6-13H,1-5H2,(H3,24,25)(H3,26,27)
InChIKey
MUXFMQXBUYAXNY-UHFFFAOYSA-N
Compound name
2-[5-(5-carbamimidoyl-1-benzofuran-2-yl)pentyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.