CID 15954955

Chembl239125

Structural Information

Molecular Formula
C26H30N4O2
SMILES
CC(C)N=C(C1=CC2=C(C=C1)C=C(O2)CCC3=CC4=C(O3)C=C(C=C4)C(=NC(C)C)N)N
InChI
InChI=1S/C26H30N4O2/c1-15(2)29-25(27)19-7-5-17-11-21(31-23(17)13-19)9-10-22-12-18-6-8-20(14-24(18)32-22)26(28)30-16(3)4/h5-8,11-16H,9-10H2,1-4H3,(H2,27,29)(H2,28,30)
InChIKey
ZOBCQMHUANIMPJ-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[2-[6-(N'-propan-2-ylcarbamimidoyl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.23688 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24416 215.1
[M+Na]+ 453.22610 220.8
[M-H]- 429.22960 227.3
[M+NH4]+ 448.27070 227.3
[M+K]+ 469.20004 218.8
[M+H-H2O]+ 413.23414 206.8
[M+HCOO]- 475.23508 239.3
[M+CH3COO]- 489.25073 246.1
[M+Na-2H]- 451.21155 213.6
[M]+ 430.23633 220.8
[M]- 430.23743 220.8
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.