CID 4060898

477320-22-2

Structural Information

Molecular Formula
C19H21Cl2NO
SMILES
CC(C)(C)C1=CC=C(C=C1)NCCC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C19H21Cl2NO/c1-19(2,3)14-5-7-15(8-6-14)22-11-10-18(23)13-4-9-16(20)17(21)12-13/h4-9,12,22H,10-11H2,1-3H3
InChIKey
WYJDPUJUIIDCPU-UHFFFAOYSA-N
Compound name
3-(4-tert-butylanilino)-1-(3,4-dichlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10728 182.1
[M+Na]+ 372.08922 190.2
[M-H]- 348.09272 188.0
[M+NH4]+ 367.13382 196.8
[M+K]+ 388.06316 182.9
[M+H-H2O]+ 332.09726 175.9
[M+HCOO]- 394.09820 194.0
[M+CH3COO]- 408.11385 214.9
[M+Na-2H]- 370.07467 183.9
[M]+ 349.09945 186.6
[M]- 349.10055 186.6
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.