CID 129318343

Vx3f4y54rc

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]+ 273.19615 165.1
[M+Na]+ 295.17809 173.8
[M-H]- 271.18159 169.9
[M+NH4]+ 290.22269 181.3
[M+K]+ 311.15203 170.0
[M+H-H2O]+ 255.18613 157.1
[M+HCOO]- 317.18707 185.1
[M+CH3COO]- 331.20272 203.8
[M+Na-2H]- 293.16354 163.9
[M]+ 272.18832 168.3
[M]- 272.18942 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.