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 185.5
[M+Na]+ 461.00420 199.3
[M-H]- 437.00770 199.1
[M+NH4]+ 456.04880 199.5
[M+K]+ 476.97814 185.9
[M+H-H2O]+ 421.01224 183.8
[M+HCOO]- 483.01318 203.7
[M+CH3COO]- 497.02883 198.8
[M+Na-2H]- 458.98965 186.6
[M]+ 438.01443 208.2
[M]- 438.01553 208.2
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.