CID 485805

(3-{[(4-{5-[4-({[3-(dimethylamino)propyl]aminooxy}methyl)phenyl](2-furyl)}phenyl)methoxy]amino}propyl)dimethylamine

Structural Information

Molecular Formula
C28H40N4O3
SMILES
CN(C)CCCNOCC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)CONCCCN(C)C
InChI
InChI=1S/C28H40N4O3/c1-31(2)19-5-17-29-33-21-23-7-11-25(12-8-23)27-15-16-28(35-27)26-13-9-24(10-14-26)22-34-30-18-6-20-32(3)4/h7-16,29-30H,5-6,17-22H2,1-4H3
InChIKey
QTWIXPVMVHJWAL-UHFFFAOYSA-N
Compound name
N-[[4-[5-[4-[[3-(dimethylamino)propylamino]oxymethyl]phenyl]furan-2-yl]phenyl]methoxy]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.31003 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.31731 223.8
[M+Na]+ 503.29925 224.2
[M-H]- 479.30275 235.4
[M+NH4]+ 498.34385 231.3
[M+K]+ 519.27319 222.8
[M+H-H2O]+ 463.30729 211.6
[M+HCOO]- 525.30823 249.9
[M+CH3COO]- 539.32388 255.4
[M+Na-2H]- 501.28470 223.5
[M]+ 480.30948 231.3
[M]- 480.31058 231.3
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.