CID 302304

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

Structural Information

Molecular Formula
C15H14N2
SMILES
C1CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2/c1-3-7-13(8-4-1)15-11-12-17(16-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
ZWCZPVMIHLKVLD-UHFFFAOYSA-N
Compound name
2,5-diphenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2088
Patents

222.11569 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 149.3
[M+Na]+ 245.10491 156.8
[M-H]- 221.10841 156.2
[M+NH4]+ 240.14951 166.0
[M+K]+ 261.07885 151.9
[M+H-H2O]+ 205.11295 139.7
[M+HCOO]- 267.11389 171.4
[M+CH3COO]- 281.12954 161.7
[M+Na-2H]- 243.09036 154.7
[M]+ 222.11514 146.8
[M]- 222.11624 146.8
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