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]+ 243.07979 151.6
[M+Na]+ 265.06173 158.4
[M-H]- 241.06523 154.9
[M+NH4]+ 260.10633 168.9
[M+K]+ 281.03567 155.9
[M+H-H2O]+ 225.06977 144.6
[M+HCOO]- 287.07071 171.5
[M+CH3COO]- 301.08636 195.2
[M+Na-2H]- 263.04718 153.5
[M]+ 242.07196 155.0
[M]- 242.07306 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.