CID 90907

Einecs 245-599-1

Structural Information

Molecular Formula
C18H18N2OS2
SMILES
CCN1C(=CC=C2C(=O)N(C(=S)S2)CC)C=CC3=CC=CC=C31
InChI
InChI=1S/C18H18N2OS2/c1-3-19-14(10-9-13-7-5-6-8-15(13)19)11-12-16-17(21)20(4-2)18(22)23-16/h5-12H,3-4H2,1-2H3
InChIKey
VXTRKKVTLJDOET-UHFFFAOYSA-N
Compound name
3-ethyl-5-[2-(1-ethylquinolin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

342.08606 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09334 179.1
[M+Na]+ 365.07528 188.8
[M-H]- 341.07878 183.7
[M+NH4]+ 360.11988 194.4
[M+K]+ 381.04922 180.4
[M+H-H2O]+ 325.08332 172.6
[M+HCOO]- 387.08426 186.7
[M+CH3COO]- 401.09991 188.9
[M+Na-2H]- 363.06073 174.7
[M]+ 342.08551 180.1
[M]- 342.08661 180.1
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