CID 2874023

3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C22H23N3O3S
SMILES
CCOC1=CC=C(C=C1)C2N(C(=O)CS2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H23N3O3S/c1-4-28-18-12-10-16(11-13-18)22-24(19(26)14-29-22)20-15(2)23(3)25(21(20)27)17-8-6-5-7-9-17/h5-13,22H,4,14H2,1-3H3
InChIKey
ROXNUEHAHRJFNS-UHFFFAOYSA-N
Compound name
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

409.14603 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15331 198.6
[M+Na]+ 432.13525 209.2
[M-H]- 408.13875 209.5
[M+NH4]+ 427.17985 210.0
[M+K]+ 448.10919 202.9
[M+H-H2O]+ 392.14329 189.7
[M+HCOO]- 454.14423 214.1
[M+CH3COO]- 468.15988 209.0
[M+Na-2H]- 430.12070 192.0
[M]+ 409.14548 203.9
[M]- 409.14658 203.9
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.