CID 218778

41287-38-1

Structural Information

Molecular Formula
C17H24N2O4S2
SMILES
CCCC1=CC(=NC2=CC=CC=C21)OCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C17H24N2O4S2/c1-2-6-14-13-17(19-16-8-4-3-7-15(14)16)23-11-5-9-18-10-12-24-25(20,21)22/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3,(H,20,21,22)
InChIKey
UCIDKFGCIPMMOX-UHFFFAOYSA-N
Compound name
4-propyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.11774 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12502 186.6
[M+Na]+ 407.10696 195.9
[M+NH4]+ 402.15156 192.4
[M+K]+ 423.08090 186.2
[M-H]- 383.11046 187.0
[M+Na-2H]- 405.09241 189.8
[M]+ 384.11719 188.8
[M]- 384.11829 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.