CID 15954961

5-benzofurancarboximidamide, 2,2'-(1,4-butanediyl)bis[n-(1-methylethyl)-

Structural Information

Molecular Formula
C28H34N4O2
SMILES
CC(C)N=C(C1=CC2=C(C=C1)OC(=C2)CCCCC3=CC4=C(O3)C=CC(=C4)C(=NC(C)C)N)N
InChI
InChI=1S/C28H34N4O2/c1-17(2)31-27(29)19-9-11-25-21(13-19)15-23(33-25)7-5-6-8-24-16-22-14-20(10-12-26(22)34-24)28(30)32-18(3)4/h9-18H,5-8H2,1-4H3,(H2,29,31)(H2,30,32)
InChIKey
UWEJBTKGHYNISO-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[4-[5-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.2682 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.27548 224.3
[M+Na]+ 481.25742 229.1
[M-H]- 457.26092 236.1
[M+NH4]+ 476.30202 235.4
[M+K]+ 497.23136 226.7
[M+H-H2O]+ 441.26546 215.6
[M+HCOO]- 503.26640 247.8
[M+CH3COO]- 517.28205 251.8
[M+Na-2H]- 479.24287 221.8
[M]+ 458.26765 230.6
[M]- 458.26875 230.6
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.