CID 15954599

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

Structural Information

Molecular Formula
C30H34N4O3
SMILES
CC(C)N=C(C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C3=CC4=C(O3)C=CC(=C4)C(=NC(C)C)N)N
InChI
InChI=1S/C30H34N4O3/c1-19(2)33-29(31)21-8-11-25(12-9-21)35-14-15-36-26-7-5-6-22(17-26)28-18-24-16-23(10-13-27(24)37-28)30(32)34-20(3)4/h5-13,16-20H,14-15H2,1-4H3,(H2,31,33)(H2,32,34)
InChIKey
BSTFBQFXTGMMET-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[3-[2-[4-(N'-propan-2-ylcarbamimidoyl)phenoxy]ethoxy]phenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2631 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.27038 229.4
[M+Na]+ 521.25232 232.0
[M-H]- 497.25582 241.8
[M+NH4]+ 516.29692 236.5
[M+K]+ 537.22626 229.6
[M+H-H2O]+ 481.26036 218.0
[M+HCOO]- 543.26130 252.8
[M+CH3COO]- 557.27695 258.3
[M+Na-2H]- 519.23777 226.9
[M]+ 498.26255 233.5
[M]- 498.26365 233.5
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.