CID 5222231

Antiviral agent

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 192.5
[M+Na]+ 422.09672 203.8
[M-H]- 398.10022 203.7
[M+NH4]+ 417.14132 206.8
[M+K]+ 438.07066 198.2
[M+H-H2O]+ 382.10476 186.0
[M+HCOO]- 444.10570 206.4
[M+CH3COO]- 458.12135 203.6
[M+Na-2H]- 420.08217 185.5
[M]+ 399.10695 199.4
[M]- 399.10805 199.4
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.