CID 15954608

6-benzofurancarboximidamide, 2-[4-[4-[3-[imino[(1-methylethyl)amino]methyl]phenoxy]butoxy]phenyl]-n-(1-methylethyl)-

Structural Information

Molecular Formula
C32H38N4O3
SMILES
CC(C)N=C(C1=CC(=CC=C1)OCCCCOC2=CC=C(C=C2)C3=CC4=C(O3)C=C(C=C4)C(=NC(C)C)N)N
InChI
InChI=1S/C32H38N4O3/c1-21(2)35-31(33)25-8-7-9-28(18-25)38-17-6-5-16-37-27-14-12-23(13-15-27)29-19-24-10-11-26(20-30(24)39-29)32(34)36-22(3)4/h7-15,18-22H,5-6,16-17H2,1-4H3,(H2,33,35)(H2,34,36)
InChIKey
NEJWUCZIHGRUBJ-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[4-[4-[3-(N'-propan-2-ylcarbamimidoyl)phenoxy]butoxy]phenyl]-1-benzofuran-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2944 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.30168 238.2
[M+Na]+ 549.28362 239.9
[M-H]- 525.28712 250.2
[M+NH4]+ 544.32822 244.1
[M+K]+ 565.25756 237.0
[M+H-H2O]+ 509.29166 226.4
[M+HCOO]- 571.29260 260.8
[M+CH3COO]- 585.30825 263.9
[M+Na-2H]- 547.26907 234.7
[M]+ 526.29385 242.8
[M]- 526.29495 242.8
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.