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 192.6
[M+Na]+ 391.14842 199.7
[M-H]- 367.15192 203.4
[M+NH4]+ 386.19302 208.1
[M+K]+ 407.12236 198.6
[M+H-H2O]+ 351.15646 185.8
[M+HCOO]- 413.15740 209.6
[M+CH3COO]- 427.17305 224.1
[M+Na-2H]- 389.13387 189.8
[M]+ 368.15865 204.7
[M]- 368.15975 204.7
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.