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-methylpyridin-2-yl)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]+ 331.14412 179.1
[M+Na]+ 353.12606 184.7
[M-H]- 329.12956 187.1
[M+NH4]+ 348.17066 190.3
[M+K]+ 369.10000 179.3
[M+H-H2O]+ 313.13410 168.6
[M+HCOO]- 375.13504 200.7
[M+CH3COO]- 389.15069 212.4
[M+Na-2H]- 351.11151 182.6
[M]+ 330.13629 178.5
[M]- 330.13739 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.