CID 2529542

2-chloro-n-[3-(2,3-dihydro-1h-inden-5-yl)-1-phenyl-1h-pyrazol-5-yl]acetamide

Structural Information

Molecular Formula
C20H18ClN3O
SMILES
C1CC2=C(C1)C=C(C=C2)C3=NN(C(=C3)NC(=O)CCl)C4=CC=CC=C4
InChI
InChI=1S/C20H18ClN3O/c21-13-20(25)22-19-12-18(23-24(19)17-7-2-1-3-8-17)16-10-9-14-5-4-6-15(14)11-16/h1-3,7-12H,4-6,13H2,(H,22,25)
InChIKey
LFIWSYWRECXBMR-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyrazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.11383 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12111 183.9
[M+Na]+ 374.10305 191.7
[M-H]- 350.10655 192.1
[M+NH4]+ 369.14765 198.9
[M+K]+ 390.07699 184.5
[M+H-H2O]+ 334.11109 174.4
[M+HCOO]- 396.11203 200.5
[M+CH3COO]- 410.12768 194.2
[M+Na-2H]- 372.08850 183.8
[M]+ 351.11328 185.2
[M]- 351.11438 185.2
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.