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 188.1
[M+Na]+ 397.10934 198.9
[M-H]- 373.11284 199.4
[M+NH4]+ 392.15394 200.4
[M+K]+ 413.08328 191.9
[M+H-H2O]+ 357.11738 178.7
[M+HCOO]- 419.11832 207.8
[M+CH3COO]- 433.13397 199.4
[M+Na-2H]- 395.09479 186.6
[M]+ 374.11957 192.7
[M]- 374.12067 192.7
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.