CID 53422556

Dtxsid90698112

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCCCCCCC(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2
InChI
InChI=1S/C17H23N3O2/c1-2-3-4-5-9-12-16(21)18-15-13-17(22)20(19-15)14-10-7-6-8-11-14/h6-8,10-11,13,19H,2-5,9,12H2,1H3,(H,18,21)
InChIKey
WRZZNIVPXLVNQD-UHFFFAOYSA-N
Compound name
N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.17902 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 172.7
[M+Na]+ 324.16824 178.5
[M-H]- 300.17174 175.1
[M+NH4]+ 319.21284 185.8
[M+K]+ 340.14218 173.3
[M+H-H2O]+ 284.17628 163.4
[M+HCOO]- 346.17722 193.5
[M+CH3COO]- 360.19287 203.6
[M+Na-2H]- 322.15369 174.0
[M]+ 301.17847 173.5
[M]- 301.17957 173.5
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.