CID 759327

N-phenylpyridine-2-carbothioamide

Structural Information

Molecular Formula
C12H10N2S
SMILES
C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2
InChI
InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey
HOMILEBHBIPJEZ-UHFFFAOYSA-N
Compound name
N-phenylpyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

50
Patents

214.05647 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06375 144.7
[M+Na]+ 237.04569 158.8
[M+NH4]+ 232.09029 154.3
[M+K]+ 253.01963 148.8
[M-H]- 213.04919 150.0
[M+Na-2H]- 235.03114 155.0
[M]+ 214.05592 148.7
[M]- 214.05702 148.7
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