CID 3042320

59512-36-6

Structural Information

Molecular Formula
C21H18N2O2
SMILES
CC1=CC(=NC=C1)NC(=O)CC2=CC(=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H18N2O2/c1-15-10-11-22-19(12-15)23-20(24)14-16-6-5-9-18(13-16)21(25)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,22,23,24)
InChIKey
KYGWWTAOLOLNDE-UHFFFAOYSA-N
Compound name
2-(3-benzoylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13684 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.144116 179.1
[M+Na]+ 353.126058 184.7
[M-H]- 329.129564 187.1
[M+NH4]+ 348.170663 190.3
[M+K]+ 369.099998 179.3
[M+H-H2O]+ 313.134100 168.6
[M+HCOO]- 375.135041 200.7
[M+CH3COO]- 389.150691 212.4
[M+Na-2H]- 351.111506 182.6
[M]+ 330.13629142 178.5
[M]- 330.13738858 178.5
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.