CID 135541399

1h-pyrazol-5-ol, 4-[(e)-(4-chlorophenyl)[[(4-fluorophenyl)methyl]imino]methyl]-3-methyl-1-phenyl-

Structural Information

Molecular Formula
C24H19ClFN3O
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=NCC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClFN3O/c1-16-22(24(30)29(28-16)21-5-3-2-4-6-21)23(18-9-11-19(25)12-10-18)27-15-17-7-13-20(26)14-8-17/h2-14,28H,15H2,1H3
InChIKey
MTQXZXQHOWXUOT-UHFFFAOYSA-N
Compound name
4-[C-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]carbonimidoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.12006 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12734 200.9
[M+Na]+ 442.10928 210.2
[M-H]- 418.11278 210.1
[M+NH4]+ 437.15388 210.3
[M+K]+ 458.08322 200.5
[M+H-H2O]+ 402.11732 188.6
[M+HCOO]- 464.11826 217.2
[M+CH3COO]- 478.13391 210.1
[M+Na-2H]- 440.09473 200.0
[M]+ 419.11951 202.0
[M]- 419.12061 202.0
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

No patent data available for this compound.