CID 3071777

Brn 5358078

Structural Information

Molecular Formula
C24H40N2O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCCCCCCCCSCC2=CC=C(O2)CN(C)C
InChI
InChI=1S/C24H40N2O2S2/c1-25(2)17-21-11-13-23(27-21)19-29-15-9-7-5-6-8-10-16-30-20-24-14-12-22(28-24)18-26(3)4/h11-14H,5-10,15-20H2,1-4H3
InChIKey
CINOACUWPXQJTR-UHFFFAOYSA-N
Compound name
1-[5-[8-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]octylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.2531 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.26038 218.1
[M+Na]+ 475.24232 222.6
[M-H]- 451.24582 227.8
[M+NH4]+ 470.28692 230.3
[M+K]+ 491.21626 220.1
[M+H-H2O]+ 435.25036 210.3
[M+HCOO]- 497.25130 233.3
[M+CH3COO]- 511.26695 241.0
[M+Na-2H]- 473.22777 212.7
[M]+ 452.25255 232.2
[M]- 452.25365 232.2
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.