CID 1498350

Brn 1174527

Structural Information

Molecular Formula
C20H15ClN4OS
SMILES
CC(=O)NC1=CC(=NN1C2=NC(=CS2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15ClN4OS/c1-13(26)22-19-11-17(15-7-9-16(21)10-8-15)24-25(19)20-23-18(12-27-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,26)
InChIKey
NIDSEFPXSTXTSH-UHFFFAOYSA-N
Compound name
N-[5-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.06552 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07280 190.2
[M+Na]+ 417.05474 206.8
[M+NH4]+ 412.09934 198.2
[M+K]+ 433.02868 199.4
[M-H]- 393.05824 197.5
[M+Na-2H]- 415.04019 201.4
[M]+ 394.06497 195.5
[M]- 394.06607 195.5
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.