CID 1498360

74101-24-9

Structural Information

Molecular Formula
C20H16N4OS
SMILES
CC(=O)NC1=CC(=NN1C2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4OS/c1-14(25)21-19-12-17(15-8-4-2-5-9-15)23-24(19)20-22-18(13-26-20)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,25)
InChIKey
VCPHVFVMLIOOQC-UHFFFAOYSA-N
Compound name
N-[3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.111776 183.2
[M+Na]+ 383.093718 193.5
[M-H]- 359.097224 194.3
[M+NH4]+ 378.138323 195.7
[M+K]+ 399.067658 186.8
[M+H-H2O]+ 343.101760 173.7
[M+HCOO]- 405.102701 203.2
[M+CH3COO]- 419.118351 194.6
[M+Na-2H]- 381.079166 182.9
[M]+ 360.10395142 187.0
[M]- 360.10504858 187.0
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.