CID 3052937

Brn 1014173

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
CCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=CC=CC=N3
InChI
InChI=1S/C16H15N3O2S/c1-2-21-13-8-6-12(7-9-13)18-16-19(15(20)11-22-16)14-5-3-4-10-17-14/h3-10H,2,11H2,1H3
InChIKey
JVKWZAROWJDZBU-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)imino-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0885 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09578 171.5
[M+Na]+ 336.07772 184.8
[M+NH4]+ 331.12232 179.4
[M+K]+ 352.05166 176.8
[M-H]- 312.08122 177.0
[M+Na-2H]- 334.06317 180.1
[M]+ 313.08795 175.4
[M]- 313.08905 175.4
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.