CID 3042577

60002-09-7

Structural Information

Molecular Formula
C19H20N2O
SMILES
CCCCC1=CN(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O/c1-2-3-10-16-15-20(17-11-6-4-7-12-17)21(19(16)22)18-13-8-5-9-14-18/h4-9,11-15H,2-3,10H2,1H3
InChIKey
PBPQFHAXZZKRNX-UHFFFAOYSA-N
Compound name
4-butyl-1,2-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.15756 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.5
[M+Na]+ 315.14678 178.2
[M-H]- 291.15028 176.8
[M+NH4]+ 310.19138 183.9
[M+K]+ 331.12072 172.1
[M+H-H2O]+ 275.15482 159.5
[M+HCOO]- 337.15576 192.0
[M+CH3COO]- 351.17141 181.2
[M+Na-2H]- 313.13223 172.2
[M]+ 292.15701 171.2
[M]- 292.15811 171.2
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

patents stripe