CID 58095134

N-(4-carbamothioylpyridin-2-yl)acetamide

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CC(=O)NC1=NC=CC(=C1)C(=S)N
InChI
InChI=1S/C8H9N3OS/c1-5(12)11-7-4-6(8(9)13)2-3-10-7/h2-4H,1H3,(H2,9,13)(H,10,11,12)
InChIKey
QSFYCCPMHTWGJZ-UHFFFAOYSA-N
Compound name
N-(4-carbamothioylpyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.04663 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05391 140.4
[M+Na]+ 218.03585 147.6
[M-H]- 194.03935 142.6
[M+NH4]+ 213.08045 158.1
[M+K]+ 234.00979 144.3
[M+H-H2O]+ 178.04389 133.5
[M+HCOO]- 240.04483 158.5
[M+CH3COO]- 254.06048 186.3
[M+Na-2H]- 216.02130 142.7
[M]+ 195.04608 139.1
[M]- 195.04718 139.1
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.