CID 66733

Thionalide

Structural Information

Molecular Formula
C12H11NOS
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)CS
InChI
InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)
InChIKey
SGMHGVVTMOGJMX-UHFFFAOYSA-N
Compound name
N-naphthalen-2-yl-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

799
Patents

217.05614 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06342 144.6
[M+Na]+ 240.04536 157.8
[M+NH4]+ 235.08996 154.6
[M+K]+ 256.01930 148.3
[M-H]- 216.04886 148.7
[M+Na-2H]- 238.03081 152.2
[M]+ 217.05559 148.2
[M]- 217.05669 148.2
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