CID 211702

Rhodanine, 3-(1-naphthyl)-

Structural Information

Molecular Formula
C13H9NOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C13H9NOS2/c15-12-8-17-13(16)14(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2
InChIKey
SNQHTADDWORHGI-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

259.01254 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01982 153.3
[M+Na]+ 282.00176 166.8
[M+NH4]+ 277.04636 163.5
[M+K]+ 297.97570 156.7
[M-H]- 258.00526 157.9
[M+Na-2H]- 279.98721 159.6
[M]+ 259.01199 157.6
[M]- 259.01309 157.6
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

patents stripe