CID 3055219

Brn 0668372

Structural Information

Molecular Formula
C18H18N2O
SMILES
C[C@@H]1[C@H](N(N=C1C2=CC=CC=C2)C(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O/c1-13-17(15-9-5-3-6-10-15)19-20(14(2)21)18(13)16-11-7-4-8-12-16/h3-13,18H,1-2H3/t13-,18-/m0/s1
InChIKey
FQOXHZBQPLKTMM-UGSOOPFHSA-N
Compound name
1-[(3S,4R)-4-methyl-3,5-diphenyl-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 166.8
[M+Na]+ 301.13112 181.9
[M+NH4]+ 296.17572 175.0
[M+K]+ 317.10506 175.6
[M-H]- 277.13462 172.0
[M+Na-2H]- 299.11657 176.3
[M]+ 278.14135 170.5
[M]- 278.14245 170.5
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.