CID 2717188

Brn 1173129

Structural Information

Molecular Formula
C20H15BrN4OS
SMILES
CC(=O)NC1=CC(=NN1C2=NC(=CS2)C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H15BrN4OS/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
SLRMGFZEXZWYCS-UHFFFAOYSA-N
Compound name
N-[5-(4-bromophenyl)-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

438.01498 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.02226 187.8
[M+Na]+ 461.00420 193.5
[M+NH4]+ 456.04880 191.8
[M+K]+ 476.97814 193.2
[M-H]- 437.00770 192.6
[M+Na-2H]- 458.98965 194.9
[M]+ 438.01443 189.3
[M]- 438.01553 189.3
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.