CID 9588392

2-((3,4-dimethoxyphenyl)thio)-n-hydroxyethanimidamide hydrochloride

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
COC1=C(C=C(C=C1)SC/C(=N\O)/N)OC
InChI
InChI=1S/C10H14N2O3S/c1-14-8-4-3-7(5-9(8)15-2)16-6-10(11)12-13/h3-5,13H,6H2,1-2H3,(H2,11,12)
InChIKey
QBIHHWDKDNUSMZ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)sulfanyl-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.079786 151.6
[M+Na]+ 265.061728 158.4
[M-H]- 241.065234 154.9
[M+NH4]+ 260.106333 168.9
[M+K]+ 281.035668 155.9
[M+H-H2O]+ 225.069770 144.6
[M+HCOO]- 287.070711 171.5
[M+CH3COO]- 301.086361 195.2
[M+Na-2H]- 263.047176 153.5
[M]+ 242.07196142 155.0
[M]- 242.07305858 155.0
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.