CID 207753

1-(3,5-diphenyl-4,5-dihydro-1h-pyrazol-1-yl)ethanone

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
InChIKey
BSTJKGVHQLTINE-UHFFFAOYSA-N
Compound name
1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

18
Patents

264.12625 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.5
[M+Na]+ 287.11547 168.9
[M-H]- 263.11897 168.7
[M+NH4]+ 282.16007 176.6
[M+K]+ 303.08941 164.0
[M+H-H2O]+ 247.12351 151.8
[M+HCOO]- 309.12445 182.3
[M+CH3COO]- 323.14010 173.1
[M+Na-2H]- 285.10092 163.9
[M]+ 264.12570 160.1
[M]- 264.12680 160.1
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