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]+ 302.13063 171.3
[M+Na]+ 324.11257 177.7
[M-H]- 300.11607 177.4
[M+NH4]+ 319.15717 186.8
[M+K]+ 340.08651 171.8
[M+H-H2O]+ 284.12061 164.1
[M+HCOO]- 346.12155 189.2
[M+CH3COO]- 360.13720 207.7
[M+Na-2H]- 322.09802 173.1
[M]+ 301.12280 173.6
[M]- 301.12390 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.