CID 68801

Piketoprofen

Structural Information

Molecular Formula
C22H20N2O2
SMILES
CC1=CC(=NC=C1)NC(=O)C(C)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H20N2O2/c1-15-11-12-23-20(13-15)24-22(26)16(2)18-9-6-10-19(14-18)21(25)17-7-4-3-5-8-17/h3-14,16H,1-2H3,(H,23,24,26)
InChIKey
ASFKKFRSMGBFRO-UHFFFAOYSA-N
Compound name
2-(3-benzoylphenyl)-N-(4-methyl-2-pyridinyl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

2926
Patents

344.15247 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.159746 183.3
[M+Na]+ 367.141688 188.1
[M-H]- 343.145194 191.2
[M+NH4]+ 362.186293 193.8
[M+K]+ 383.115628 183.1
[M+H-H2O]+ 327.149730 172.8
[M+HCOO]- 389.150671 203.6
[M+CH3COO]- 403.166321 216.2
[M+Na-2H]- 365.127136 185.2
[M]+ 344.15192142 182.4
[M]- 344.15301858 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe