CID 5143542

1-(4-chlorophenyl)-3-(4-isopropylanilino)-1-propanone

Structural Information

Molecular Formula
C18H20ClNO
SMILES
CC(C)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H20ClNO/c1-13(2)14-5-9-17(10-6-14)20-12-11-18(21)15-3-7-16(19)8-4-15/h3-10,13,20H,11-12H2,1-2H3
InChIKey
ZLUBKUOZMSBQBN-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12335 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.130626 171.3
[M+Na]+ 324.112568 177.7
[M-H]- 300.116074 177.4
[M+NH4]+ 319.157173 186.8
[M+K]+ 340.086508 171.8
[M+H-H2O]+ 284.120610 164.1
[M+HCOO]- 346.121551 189.2
[M+CH3COO]- 360.137201 207.7
[M+Na-2H]- 322.098016 173.1
[M]+ 301.12280142 173.6
[M]- 301.12389858 173.6
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.