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]+ 322.07601 172.4
[M+Na]+ 344.05795 181.8
[M-H]- 320.06145 178.6
[M+NH4]+ 339.10255 188.3
[M+K]+ 360.03189 174.5
[M+H-H2O]+ 304.06599 166.4
[M+HCOO]- 366.06693 186.5
[M+CH3COO]- 380.08258 210.5
[M+Na-2H]- 342.04340 173.8
[M]+ 321.06818 177.1
[M]- 321.06928 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.