CID 99146

40283-93-0

Structural Information

Molecular Formula
C10H14N2O4S2
SMILES
COC1=CC=C(C=C1)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C10H14N2O4S2/c1-16-9-4-2-8(3-5-9)6-12-10(11)7-17-18(13,14)15/h2-5H,6-7H2,1H3,(H2,11,12)(H,13,14,15)
InChIKey
OKZCLMVQKVNQTO-UHFFFAOYSA-N
Compound name
1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0395 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.046776 161.6
[M+Na]+ 313.028718 167.5
[M-H]- 289.032224 163.8
[M+NH4]+ 308.073323 176.3
[M+K]+ 329.002658 162.8
[M+H-H2O]+ 273.036760 154.4
[M+HCOO]- 335.037701 174.4
[M+CH3COO]- 349.053351 199.5
[M+Na-2H]- 311.014166 163.6
[M]+ 290.03895142 164.4
[M]- 290.04004858 164.4
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.