CID 854314

6-methyl-4-thiophen-2-yl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

Structural Information

Molecular Formula
C11H8N2S2
SMILES
CC1=CC(=C(C(=S)N1)C#N)C2=CC=CS2
InChI
InChI=1S/C11H8N2S2/c1-7-5-8(10-3-2-4-15-10)9(6-12)11(14)13-7/h2-5H,1H3,(H,13,14)
InChIKey
AJMSNHGKNZFNOS-UHFFFAOYSA-N
Compound name
6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

232.0129 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02018 157.8
[M+Na]+ 255.00212 171.5
[M-H]- 231.00562 162.9
[M+NH4]+ 250.04672 175.4
[M+K]+ 270.97606 164.7
[M+H-H2O]+ 215.01016 145.7
[M+HCOO]- 277.01110 167.7
[M+CH3COO]- 291.02675 169.1
[M+Na-2H]- 252.98757 156.5
[M]+ 232.01235 154.2
[M]- 232.01345 154.2
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