CID 5222231

380458-45-7

Structural Information

Molecular Formula
C20H21N3O2S2
SMILES
COCCCN1C(SCC1=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O2S2/c1-25-11-6-10-22-18(24)14-27-20(22)16-13-23(15-7-3-2-4-8-15)21-19(16)17-9-5-12-26-17/h2-5,7-9,12-13,20H,6,10-11,14H2,1H3
InChIKey
SRCORKFAUMLHBU-UHFFFAOYSA-N
Compound name
3-(3-methoxypropyl)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

399.1075 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.11478 190.6
[M+Na]+ 422.09672 203.2
[M+NH4]+ 417.14132 198.4
[M+K]+ 438.07066 197.0
[M-H]- 398.10022 196.3
[M+Na-2H]- 420.08217 197.7
[M]+ 399.10695 194.9
[M]- 399.10805 194.9
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

No patent data available for this compound.