CID 3478455

477320-21-1

Structural Information

Molecular Formula
C17H17Cl2NO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC(=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C17H17Cl2NO/c1-11-3-5-14(9-12(11)2)20-8-7-17(21)13-4-6-15(18)16(19)10-13/h3-6,9-10,20H,7-8H2,1-2H3
InChIKey
ZCAQHKOORNKMPZ-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(3,4-dimethylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.06873 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.076006 172.4
[M+Na]+ 344.057948 181.8
[M-H]- 320.061454 178.6
[M+NH4]+ 339.102553 188.3
[M+K]+ 360.031888 174.5
[M+H-H2O]+ 304.065990 166.4
[M+HCOO]- 366.066931 186.5
[M+CH3COO]- 380.082581 210.5
[M+Na-2H]- 342.043396 173.8
[M]+ 321.06818142 177.1
[M]- 321.06927858 177.1
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.