CID 1380752

3-ethyl-5-(1-ethyl-2-quinolinylidene)-2-sulfanylidene-4-thiazolidinone

Structural Information

Molecular Formula
C16H16N2OS2
SMILES
CCN1C(=C2C(=O)N(C(=S)S2)CC)C=CC3=CC=CC=C31
InChI
InChI=1S/C16H16N2OS2/c1-3-17-12-8-6-5-7-11(12)9-10-13(17)14-15(19)18(4-2)16(20)21-14/h5-10H,3-4H2,1-2H3
InChIKey
MHMKWRMLSVEIRZ-UHFFFAOYSA-N
Compound name
3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

316.0704 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07768 171.0
[M+Na]+ 339.05962 181.3
[M-H]- 315.06312 176.0
[M+NH4]+ 334.10422 187.4
[M+K]+ 355.03356 173.9
[M+H-H2O]+ 299.06766 164.8
[M+HCOO]- 361.06860 179.1
[M+CH3COO]- 375.08425 181.7
[M+Na-2H]- 337.04507 167.6
[M]+ 316.06985 172.2
[M]- 316.07095 172.2
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