CID 211703

23517-79-5

Structural Information

Molecular Formula
C14H11NOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H11NOS2/c1-9-13(16)15(14(17)18-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKey
HZRBSVWHHGYUAT-UHFFFAOYSA-N
Compound name
5-methyl-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0282 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03548 157.8
[M+Na]+ 296.01742 168.9
[M-H]- 272.02092 164.6
[M+NH4]+ 291.06202 177.1
[M+K]+ 311.99136 162.5
[M+H-H2O]+ 256.02546 152.3
[M+HCOO]- 318.02640 169.1
[M+CH3COO]- 332.04205 170.3
[M+Na-2H]- 294.00287 157.1
[M]+ 273.02765 159.7
[M]- 273.02875 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.