CID 4282702

3-((4-methoxyphenyl)amino)propiophenone

Structural Information

Molecular Formula
C16H17NO2
SMILES
COC1=CC=C(C=C1)NCCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H17NO2/c1-19-15-9-7-14(8-10-15)17-12-11-16(18)13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3
InChIKey
YWCJCWNTKMVVTF-UHFFFAOYSA-N
Compound name
3-(4-methoxyanilino)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.6
[M+Na]+ 278.11515 164.3
[M-H]- 254.11865 164.9
[M+NH4]+ 273.15975 174.8
[M+K]+ 294.08909 160.9
[M+H-H2O]+ 238.12319 150.5
[M+HCOO]- 300.12413 183.0
[M+CH3COO]- 314.13978 198.1
[M+Na-2H]- 276.10060 164.0
[M]+ 255.12538 159.6
[M]- 255.12648 159.6
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

No patent data available for this compound.