CID 5011769

477328-95-3

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=C(C=CC(=C2)Cl)OC
InChI
InChI=1S/C17H18ClNO2/c1-12-3-5-13(6-4-12)16(20)9-10-19-15-11-14(18)7-8-17(15)21-2/h3-8,11,19H,9-10H2,1-2H3
InChIKey
GQGBOYDATFCCAG-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 170.0
[M+Na]+ 326.09182 184.8
[M+NH4]+ 321.13642 178.4
[M+K]+ 342.06576 176.1
[M-H]- 302.09532 175.0
[M+Na-2H]- 324.07727 178.6
[M]+ 303.10205 173.9
[M]- 303.10315 173.9
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.