CID 485804

(2-{[(4-{5-[4-({[2-(dimethylamino)ethyl]aminooxy}methyl)phenyl](2-furyl)}phenyl)methoxy]amino}ethyl)dimethylamine

Structural Information

Molecular Formula
C26H36N4O3
SMILES
CN(C)CCNOCC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)CONCCN(C)C
InChI
InChI=1S/C26H36N4O3/c1-29(2)17-15-27-31-19-21-5-9-23(10-6-21)25-13-14-26(33-25)24-11-7-22(8-12-24)20-32-28-16-18-30(3)4/h5-14,27-28H,15-20H2,1-4H3
InChIKey
FOULIQMOXKZDBK-UHFFFAOYSA-N
Compound name
N-[[4-[5-[4-[[2-(dimethylamino)ethylamino]oxymethyl]phenyl]furan-2-yl]phenyl]methoxy]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.27875 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.28603 215.1
[M+Na]+ 475.26797 216.4
[M-H]- 451.27147 227.1
[M+NH4]+ 470.31257 223.7
[M+K]+ 491.24191 215.3
[M+H-H2O]+ 435.27601 203.3
[M+HCOO]- 497.27695 241.9
[M+CH3COO]- 511.29260 249.7
[M+Na-2H]- 473.25342 215.8
[M]+ 452.27820 221.9
[M]- 452.27930 221.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.