CID 57151

96974-48-0

Structural Information

Molecular Formula
C15H20N2O
SMILES
CCC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C15H20N2O/c1-5-11(2)14-12(3)16(4)17(15(14)18)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3
InChIKey
CYGFOANTEHDZLD-UHFFFAOYSA-N
Compound name
4-butan-2-yl-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 157.8
[M+Na]+ 267.14678 171.8
[M+NH4]+ 262.19138 165.4
[M+K]+ 283.12072 166.7
[M-H]- 243.15028 160.5
[M+Na-2H]- 265.13223 164.6
[M]+ 244.15701 160.6
[M]- 244.15811 160.6
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.