CID 218771

41287-31-4

Structural Information

Molecular Formula
C16H22N2O4S2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C)OCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C16H22N2O4S2/c1-12-4-5-15-14(10-12)13(2)11-16(18-15)22-8-3-6-17-7-9-23-24(19,20)21/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,19,20,21)
InChIKey
BSUIFZACDFHAMH-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1021 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10938 183.6
[M+Na]+ 393.09132 193.4
[M+NH4]+ 388.13592 189.5
[M+K]+ 409.06526 184.0
[M-H]- 369.09482 184.0
[M+Na-2H]- 391.07677 186.6
[M]+ 370.10155 185.9
[M]- 370.10265 185.9
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.