CID 3065973

3-(4-chlorophenyl)-5-(4-nitrophenyl)-1-phenyl-2-pyrazoline

Structural Information

Molecular Formula
C21H16ClN3O2
SMILES
C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H16ClN3O2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-19(13-9-16)25(26)27)24(23-20)18-4-2-1-3-5-18/h1-13,21H,14H2
InChIKey
ZWRGDZVTLHIARY-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0931 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10038 190.5
[M+Na]+ 400.08232 196.9
[M-H]- 376.08582 200.3
[M+NH4]+ 395.12692 200.3
[M+K]+ 416.05626 185.4
[M+H-H2O]+ 360.09036 183.5
[M+HCOO]- 422.09130 207.4
[M+CH3COO]- 436.10695 210.3
[M+Na-2H]- 398.06777 193.4
[M]+ 377.09255 189.3
[M]- 377.09365 189.3
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.