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

1
Patents

182.05139 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 136.1
[M+Na]+ 205.040608 145.8
[M-H]- 181.044114 137.6
[M+NH4]+ 200.085213 154.6
[M+K]+ 221.014548 141.1
[M+H-H2O]+ 165.048650 130.4
[M+HCOO]- 227.049591 152.6
[M+CH3COO]- 241.065241 181.1
[M+Na-2H]- 203.026056 137.0
[M]+ 182.05084142 135.2
[M]- 182.05193858 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

literature stripe

Patent stripe

patents stripe