CID 3071773

Brn 5354948

Structural Information

Molecular Formula
C20H32N2O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCCCCSCC2=CC=C(O2)CN(C)C
InChI
InChI=1S/C20H32N2O2S2/c1-21(2)13-17-7-9-19(23-17)15-25-11-5-6-12-26-16-20-10-8-18(24-20)14-22(3)4/h7-10H,5-6,11-16H2,1-4H3
InChIKey
QLQLZILPUSPCNJ-UHFFFAOYSA-N
Compound name
1-[5-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]butylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.19052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19780 201.2
[M+Na]+ 419.17974 207.5
[M-H]- 395.18324 211.7
[M+NH4]+ 414.22434 215.6
[M+K]+ 435.15368 205.8
[M+H-H2O]+ 379.18778 194.0
[M+HCOO]- 441.18872 217.6
[M+CH3COO]- 455.20437 229.8
[M+Na-2H]- 417.16519 197.5
[M]+ 396.18997 214.0
[M]- 396.19107 214.0
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.