CID 3071778

Brn 5359326

Structural Information

Molecular Formula
C25H42N2O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCCCCCCCCCSCC2=CC=C(O2)CN(C)C
InChI
InChI=1S/C25H42N2O2S2/c1-26(2)18-22-12-14-24(28-22)20-30-16-10-8-6-5-7-9-11-17-31-21-25-15-13-23(29-25)19-27(3)4/h12-15H,5-11,16-21H2,1-4H3
InChIKey
MYTVLVZQXNODTK-UHFFFAOYSA-N
Compound name
1-[5-[9-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]nonylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

466.26877 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.27605 222.3
[M+Na]+ 489.25799 226.4
[M-H]- 465.26149 231.8
[M+NH4]+ 484.30259 233.9
[M+K]+ 505.23193 223.7
[M+H-H2O]+ 449.26603 214.3
[M+HCOO]- 511.26697 237.2
[M+CH3COO]- 525.28262 243.8
[M+Na-2H]- 487.24344 216.5
[M]+ 466.26822 236.7
[M]- 466.26932 236.7
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.