CID 16125709

Akos024436300

Structural Information

Molecular Formula
C24H19N3O3S2
SMILES
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(CC(=N3)C4=CC=CS4)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C24H19N3O3S2/c1-28-17-7-4-15(5-8-17)19-13-32-24(25-19)27-20(12-18(26-27)23-3-2-10-31-23)16-6-9-21-22(11-16)30-14-29-21/h2-11,13,20H,12,14H2,1H3
InChIKey
WYBBICKVPWEIJD-UHFFFAOYSA-N
Compound name
2-[3-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.0868 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.09408 201.2
[M+Na]+ 484.07602 214.8
[M-H]- 460.07952 219.1
[M+NH4]+ 479.12062 213.6
[M+K]+ 500.04996 212.6
[M+H-H2O]+ 444.08406 198.8
[M+HCOO]- 506.08500 215.5
[M+CH3COO]- 520.10065 213.4
[M+Na-2H]- 482.06147 194.1
[M]+ 461.08625 210.8
[M]- 461.08735 210.8
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.