CID 3088389

Brn 5352858

Structural Information

Molecular Formula
C18H28N2O2S2
SMILES
CN(C)CC1=CC=C(O1)CSCCSCC2=CC=C(O2)CN(C)C
InChI
InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3
InChIKey
BFYPXOUNPUWUNL-UHFFFAOYSA-N
Compound name
1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.1592 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16648 189.4
[M+Na]+ 391.14842 198.3
[M+NH4]+ 386.19302 197.1
[M+K]+ 407.12236 191.8
[M-H]- 367.15192 196.5
[M+Na-2H]- 389.13387 192.9
[M]+ 368.15865 193.6
[M]- 368.15975 193.6
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.