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

71
Patents

236.13135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 154.0
[M+Na]+ 259.120568 162.0
[M-H]- 235.124074 161.2
[M+NH4]+ 254.165173 170.5
[M+K]+ 275.094508 156.9
[M+H-H2O]+ 219.128610 144.5
[M+HCOO]- 281.129551 175.8
[M+CH3COO]- 295.145201 166.4
[M+Na-2H]- 257.106016 158.2
[M]+ 236.13080142 152.3
[M]- 236.13189858 152.3
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