CID 759327

Pyridine-2-carbothioic acid phenylamide

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
2
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 144.3
[M+Na]+ 237.04569 151.7
[M-H]- 213.04919 149.8
[M+NH4]+ 232.09029 161.5
[M+K]+ 253.01963 146.7
[M+H-H2O]+ 197.05373 136.6
[M+HCOO]- 259.05467 163.2
[M+CH3COO]- 273.07032 156.7
[M+Na-2H]- 235.03114 149.9
[M]+ 214.05592 143.4
[M]- 214.05702 143.4
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