CID 3079322

Brn 4201049

Structural Information

Molecular Formula
C20H21N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C20H21N3O/c1-15-19(13-20(24)21-14-17-9-5-3-6-10-17)16(2)23(22-15)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKey
IYVMAGZCVKXLCR-UHFFFAOYSA-N
Compound name
N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

319.16846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17574 178.8
[M+Na]+ 342.15768 193.0
[M+NH4]+ 337.20228 186.1
[M+K]+ 358.13162 186.5
[M-H]- 318.16118 184.4
[M+Na-2H]- 340.14313 188.3
[M]+ 319.16791 182.4
[M]- 319.16901 182.4
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

patents stripe