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-[5-phenyl-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

360.1045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11178 183.2
[M+Na]+ 383.09372 193.5
[M-H]- 359.09722 194.3
[M+NH4]+ 378.13832 195.7
[M+K]+ 399.06766 186.8
[M+H-H2O]+ 343.10176 173.7
[M+HCOO]- 405.10270 203.2
[M+CH3COO]- 419.11835 194.6
[M+Na-2H]- 381.07917 182.9
[M]+ 360.10395 187.0
[M]- 360.10505 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.