CID 2369639

N-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-2-chloroacetamide

Structural Information

Molecular Formula
C15H18ClN3O
SMILES
CC(C)(C)C1=NN(C(=C1)NC(=O)CCl)C2=CC=CC=C2
InChI
InChI=1S/C15H18ClN3O/c1-15(2,3)12-9-13(17-14(20)10-16)19(18-12)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,17,20)
InChIKey
LJYKWBIMPOHGAE-UHFFFAOYSA-N
Compound name
N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

291.11383 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12111 168.1
[M+Na]+ 314.10305 180.5
[M+NH4]+ 309.14765 175.2
[M+K]+ 330.07699 175.8
[M-H]- 290.10655 170.3
[M+Na-2H]- 312.08850 175.1
[M]+ 291.11328 170.7
[M]- 291.11438 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.