CID 3020478

4-ethoxy-2-mercaptobenzamide

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CCOC1=CC(=C(C=C1)C(=O)N)S
InChI
InChI=1S/C9H11NO2S/c1-2-12-6-3-4-7(9(10)11)8(13)5-6/h3-5,13H,2H2,1H3,(H2,10,11)
InChIKey
RWOSVQWVYSMNOG-UHFFFAOYSA-N
Compound name
4-ethoxy-2-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05106 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.058336 140.1
[M+Na]+ 220.040278 148.4
[M-H]- 196.043784 143.8
[M+NH4]+ 215.084883 159.7
[M+K]+ 236.014218 145.8
[M+H-H2O]+ 180.048320 134.1
[M+HCOO]- 242.049261 159.2
[M+CH3COO]- 256.064911 185.6
[M+Na-2H]- 218.025726 141.8
[M]+ 197.05051142 142.6
[M]- 197.05160858 142.6
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.