CID 616784

3-methyl-1,5-diphenyl-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula
C16H16N2
SMILES
CC1=NN(C(C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2/c1-13-12-16(14-8-4-2-5-9-14)18(17-13)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKey
FZTOIOYDPXSQDM-UHFFFAOYSA-N
Compound name
5-methyl-2,3-diphenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

236.13135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13863 155.6
[M+Na]+ 259.12057 171.5
[M+NH4]+ 254.16517 165.1
[M+K]+ 275.09451 164.2
[M-H]- 235.12407 161.7
[M+Na-2H]- 257.10602 166.8
[M]+ 236.13080 159.8
[M]- 236.13190 159.8
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