CID 15954595

6-benzofurancarboximidamide, 2-[4-[[4-[imino[(1-methylethyl)amino]methyl]phenoxy]methoxy]phenyl]-n-(1-methylethyl)-

Structural Information

Molecular Formula
C29H32N4O3
SMILES
CC(C)N=C(C1=CC=C(C=C1)OCOC2=CC=CC(=C2)C3=CC4=C(O3)C=CC(=C4)C(=NC(C)C)N)N
InChI
InChI=1S/C29H32N4O3/c1-18(2)32-28(30)20-8-11-24(12-9-20)34-17-35-25-7-5-6-21(15-25)27-16-23-14-22(10-13-26(23)36-27)29(31)33-19(3)4/h5-16,18-19H,17H2,1-4H3,(H2,30,32)(H2,31,33)
InChIKey
VWYZOYBRHXMMFG-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[3-[[4-(N'-propan-2-ylcarbamimidoyl)phenoxy]methoxy]phenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.24744 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.25472 225.0
[M+Na]+ 507.23666 228.1
[M-H]- 483.24016 237.6
[M+NH4]+ 502.28126 232.7
[M+K]+ 523.21060 225.8
[M+H-H2O]+ 467.24470 213.8
[M+HCOO]- 529.24564 248.7
[M+CH3COO]- 543.26129 255.4
[M+Na-2H]- 505.22211 223.0
[M]+ 484.24689 228.8
[M]- 484.24799 228.8
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.