CID 3071779

Brn 5360513

Structural Information

Molecular Formula
C24H32N2O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCC2=CC=C(C=C2)CSCC3=CC=C(O3)CN(C)C
InChI
InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-5-7-20(8-6-19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3
InChIKey
BKKRKDDJCRFGHJ-UHFFFAOYSA-N
Compound name
1-[5-[[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.19052 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19780 207.8
[M+Na]+ 467.17974 218.9
[M+NH4]+ 462.22434 215.8
[M+K]+ 483.15368 210.9
[M-H]- 443.18324 217.6
[M+Na-2H]- 465.16519 214.0
[M]+ 444.18997 213.3
[M]- 444.19107 213.3
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.