CID 283965

3-benzyl-5-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C16H14N2
SMILES
C1=CC=C(C=C1)CC2=CC(=NN2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2/c1-3-7-13(8-4-1)11-15-12-16(18-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,17,18)
InChIKey
ZLVBMDHJLBYKFG-UHFFFAOYSA-N
Compound name
5-benzyl-3-phenyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

234.11569 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 152.6
[M+Na]+ 257.10491 160.2
[M-H]- 233.10841 158.3
[M+NH4]+ 252.14951 168.2
[M+K]+ 273.07885 154.0
[M+H-H2O]+ 217.11295 143.3
[M+HCOO]- 279.11389 174.3
[M+CH3COO]- 293.12954 164.4
[M+Na-2H]- 255.09036 158.2
[M]+ 234.11514 150.1
[M]- 234.11624 150.1
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.