CID 9588390

Ethanimidamide, 2-((4-chloro-3-methoxyphenyl)thio)-n-hydroxy-, monohydrochloride

Structural Information

Molecular Formula
C9H11ClN2O2S
SMILES
COC1=C(C=CC(=C1)SC/C(=N\O)/N)Cl
InChI
InChI=1S/C9H11ClN2O2S/c1-14-8-4-6(2-3-7(8)10)15-5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKey
SHGACHPTGYKXDX-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methoxyphenyl)sulfanyl-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02298 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.030256 150.0
[M+Na]+ 269.012198 158.0
[M-H]- 245.015704 153.6
[M+NH4]+ 264.056803 168.2
[M+K]+ 284.986138 153.5
[M+H-H2O]+ 229.020240 144.7
[M+HCOO]- 291.021181 165.6
[M+CH3COO]- 305.036831 193.7
[M+Na-2H]- 266.997646 151.8
[M]+ 246.02243142 153.6
[M]- 246.02352858 153.6
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.