CID 709000

79927-21-2

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CC1=CC(=C(C(=S)N1)C(=O)N)C
InChI
InChI=1S/C8H10N2OS/c1-4-3-5(2)10-8(12)6(4)7(9)11/h3H,1-2H3,(H2,9,11)(H,10,12)
InChIKey
PNUHWHVTEYTPSN-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

182.05139 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 136.1
[M+Na]+ 205.04061 145.8
[M-H]- 181.04411 137.6
[M+NH4]+ 200.08521 154.6
[M+K]+ 221.01455 141.1
[M+H-H2O]+ 165.04865 130.4
[M+HCOO]- 227.04959 152.6
[M+CH3COO]- 241.06524 181.1
[M+Na-2H]- 203.02606 137.0
[M]+ 182.05084 135.2
[M]- 182.05194 135.2
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.