CID 3071772

Brn 5353847

Structural Information

Molecular Formula
C19H30N2O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCCCSCC2=CC=C(O2)CN(C)C
InChI
InChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3
InChIKey
ZYKGNFBRZVTSQT-UHFFFAOYSA-N
Compound name
1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.17487 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18215 193.5
[M+Na]+ 405.16409 202.2
[M+NH4]+ 400.20869 201.1
[M+K]+ 421.13803 195.5
[M-H]- 381.16759 200.6
[M+Na-2H]- 403.14954 196.8
[M]+ 382.17432 197.7
[M]- 382.17542 197.7
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.