CID 3065971

3-(p-chlorophenyl)-1-(o-methoxyphenyl)-5-phenyl-2-pyrazoline

Structural Information

Molecular Formula
C22H19ClN2O
SMILES
COC1=CC=CC=C1N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H19ClN2O/c1-26-22-10-6-5-9-20(22)25-21(17-7-3-2-4-8-17)15-19(24-25)16-11-13-18(23)14-12-16/h2-14,21H,15H2,1H3
InChIKey
CBLJWFRQQZYVCR-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1186 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12588 187.4
[M+Na]+ 385.10782 196.3
[M-H]- 361.11132 197.3
[M+NH4]+ 380.15242 199.3
[M+K]+ 401.08176 188.2
[M+H-H2O]+ 345.11586 176.0
[M+HCOO]- 407.11680 203.5
[M+CH3COO]- 421.13245 197.7
[M+Na-2H]- 383.09327 188.1
[M]+ 362.11805 189.3
[M]- 362.11915 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.