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 191.5
[M+Na]+ 417.05474 203.2
[M-H]- 393.05824 202.6
[M+NH4]+ 412.09934 203.7
[M+K]+ 433.02868 195.2
[M+H-H2O]+ 377.06278 182.2
[M+HCOO]- 439.06372 206.6
[M+CH3COO]- 453.07937 202.6
[M+Na-2H]- 415.04019 189.8
[M]+ 394.06497 197.8
[M]- 394.06607 197.8
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.