CID 15954614

6-benzofurancarboximidamide, 2-[4-[[5-[3-[imino[(1-methylethyl)amino]methyl]phenoxy]pentyl]oxy]phenyl]-n-(1-methylethyl)-

Structural Information

Molecular Formula
C33H40N4O3
SMILES
CC(C)N=C(C1=CC(=CC=C1)OCCCCCOC2=CC=C(C=C2)C3=CC4=C(O3)C=C(C=C4)C(=NC(C)C)N)N
InChI
InChI=1S/C33H40N4O3/c1-22(2)36-32(34)26-9-8-10-29(19-26)39-18-7-5-6-17-38-28-15-13-24(14-16-28)30-20-25-11-12-27(21-31(25)40-30)33(35)37-23(3)4/h8-16,19-23H,5-7,17-18H2,1-4H3,(H2,34,36)(H2,35,37)
InChIKey
RIIXLEVBNJQXOB-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[4-[5-[3-(N'-propan-2-ylcarbamimidoyl)phenoxy]pentoxy]phenyl]-1-benzofuran-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.31006 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.31734 242.6
[M+Na]+ 563.29928 243.7
[M-H]- 539.30278 254.3
[M+NH4]+ 558.34388 247.8
[M+K]+ 579.27322 240.7
[M+H-H2O]+ 523.30732 230.5
[M+HCOO]- 585.30826 264.8
[M+CH3COO]- 599.32391 266.7
[M+Na-2H]- 561.28473 238.6
[M]+ 540.30951 247.5
[M]- 540.31061 247.5
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.