CID 135541403

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

Structural Information

Molecular Formula
C20H20ClN3O
SMILES
CCCN=C(C1=CC=C(C=C1)Cl)C2=C(NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C20H20ClN3O/c1-3-13-22-19(15-9-11-16(21)12-10-15)18-14(2)23-24(20(18)25)17-7-5-4-6-8-17/h4-12,23H,3,13H2,1-2H3
InChIKey
VGFPJXFQRPSYRR-UHFFFAOYSA-N
Compound name
4-[C-(4-chlorophenyl)-N-propylcarbonimidoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.1295 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13678 185.2
[M+Na]+ 376.11872 194.2
[M-H]- 352.12222 192.6
[M+NH4]+ 371.16332 197.8
[M+K]+ 392.09266 186.2
[M+H-H2O]+ 336.12676 175.3
[M+HCOO]- 398.12770 202.8
[M+CH3COO]- 412.14335 195.7
[M+Na-2H]- 374.10417 185.5
[M]+ 353.12895 187.9
[M]- 353.13005 187.9
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.