CID 1498356

74101-30-7

Structural Information

Molecular Formula
C21H18N4OS
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C)C3=NC(=CS3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N4OS/c1-14-8-10-17(11-9-14)18-12-20(22-15(2)26)25(24-18)21-23-19(13-27-21)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,26)
InChIKey
QZZOWEAVGQTUJD-UHFFFAOYSA-N
Compound name
N-[5-(4-methylphenyl)-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

374.12012 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12740 187.1
[M+Na]+ 397.10934 202.7
[M+NH4]+ 392.15394 194.8
[M+K]+ 413.08328 196.2
[M-H]- 373.11284 194.4
[M+Na-2H]- 395.09479 198.3
[M]+ 374.11957 192.0
[M]- 374.12067 192.0
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.