CID 3036260

2-quinolineethanethioamide

Structural Information

Molecular Formula
C11H10N2S
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC(=S)N
InChI
InChI=1S/C11H10N2S/c12-11(14)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-6H,7H2,(H2,12,14)
InChIKey
PODSWTXEDPFIJH-UHFFFAOYSA-N
Compound name
2-quinolin-2-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

202.05647 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06375 140.4
[M+Na]+ 225.04569 149.0
[M-H]- 201.04919 143.3
[M+NH4]+ 220.09029 159.4
[M+K]+ 241.01963 144.1
[M+H-H2O]+ 185.05373 133.9
[M+HCOO]- 247.05467 157.4
[M+CH3COO]- 261.07032 153.0
[M+Na-2H]- 223.03114 145.6
[M]+ 202.05592 140.1
[M]- 202.05702 140.1
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