CID 3620553

1-(4-methylphenyl)-3-(4-phenoxyanilino)-1-propanone

Structural Information

Molecular Formula
C22H21NO2
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C22H21NO2/c1-17-7-9-18(10-8-17)22(24)15-16-23-19-11-13-21(14-12-19)25-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3
InChIKey
PNEOGJGFYMZWQM-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(4-phenoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.15723 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 181.9
[M+Na]+ 354.14645 197.5
[M+NH4]+ 349.19105 190.4
[M+K]+ 370.12039 187.7
[M-H]- 330.14995 189.6
[M+Na-2H]- 352.13190 193.5
[M]+ 331.15668 186.5
[M]- 331.15778 186.5
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.