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]+ 291.04678 161.6
[M+Na]+ 313.02872 167.5
[M-H]- 289.03222 163.8
[M+NH4]+ 308.07332 176.3
[M+K]+ 329.00266 162.8
[M+H-H2O]+ 273.03676 154.4
[M+HCOO]- 335.03770 174.4
[M+CH3COO]- 349.05335 199.5
[M+Na-2H]- 311.01417 163.6
[M]+ 290.03895 164.4
[M]- 290.04005 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.