CID 218167

40283-89-4

Structural Information

Molecular Formula
C11H16N2O4S2
SMILES
C1=CC=C(C=C1)OCCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C11H16N2O4S2/c12-11(9-18-19(14,15)16)13-7-4-8-17-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,12,13)(H,14,15,16)
InChIKey
UEJUHUJBJZBBLW-UHFFFAOYSA-N
Compound name
3-[(1-amino-2-sulfosulfanylethylidene)amino]propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.05515 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06243 165.5
[M+Na]+ 327.04437 172.0
[M+NH4]+ 322.08897 171.0
[M+K]+ 343.01831 164.7
[M-H]- 303.04787 165.5
[M+Na-2H]- 325.02982 168.5
[M]+ 304.05460 166.9
[M]- 304.05570 166.9
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.