CID 129318343

Propyphenazone ep impurity c

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)CC(C)C
InChI
InChI=1S/C17H24N2O/c1-12(2)11-13(3)16-14(4)18(5)19(17(16)20)15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3
InChIKey
AHKJXHYOTWRIKD-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-(4-methylpentan-2-yl)-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 165.1
[M+Na]+ 295.178088 173.8
[M-H]- 271.181594 169.9
[M+NH4]+ 290.222693 181.3
[M+K]+ 311.152028 170.0
[M+H-H2O]+ 255.186130 157.1
[M+HCOO]- 317.187071 185.1
[M+CH3COO]- 331.202721 203.8
[M+Na-2H]- 293.163536 163.9
[M]+ 272.18832142 168.3
[M]- 272.18941858 168.3
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.