CID 468893

5-(acetylamino)-2-sulfanylbenzamide

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CC(=O)NC1=CC(=C(C=C1)S)C(=O)N
InChI
InChI=1S/C9H10N2O2S/c1-5(12)11-6-2-3-8(14)7(4-6)9(10)13/h2-4,14H,1H3,(H2,10,13)(H,11,12)
InChIKey
HDIGYNUWISHZRS-UHFFFAOYSA-N
Compound name
5-acetamido-2-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

210.0463 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 143.9
[M+Na]+ 233.03552 151.2
[M-H]- 209.03902 147.5
[M+NH4]+ 228.08012 162.4
[M+K]+ 249.00946 148.4
[M+H-H2O]+ 193.04356 137.5
[M+HCOO]- 255.04450 163.0
[M+CH3COO]- 269.06015 190.1
[M+Na-2H]- 231.02097 144.9
[M]+ 210.04575 144.2
[M]- 210.04685 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe