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 196.9
[M+Na]+ 405.16409 203.6
[M-H]- 381.16759 207.6
[M+NH4]+ 400.20869 211.9
[M+K]+ 421.13803 202.2
[M+H-H2O]+ 365.17213 189.9
[M+HCOO]- 427.17307 213.6
[M+CH3COO]- 441.18872 227.0
[M+Na-2H]- 403.14954 193.6
[M]+ 382.17432 209.4
[M]- 382.17542 209.4
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.