CID 3015899

37148-49-5

Structural Information

Molecular Formula
C12H16Cl2N2O
SMILES
CC(C)(C)NCC(=O)C1=CC(=C(C(=C1)Cl)N)Cl
InChI
InChI=1S/C12H16Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,16H,6,15H2,1-3H3
InChIKey
QWIQLKPBFDBNMD-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

274.06396 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07124 162.1
[M+Na]+ 297.05318 170.9
[M-H]- 273.05668 165.2
[M+NH4]+ 292.09778 179.6
[M+K]+ 313.02712 165.3
[M+H-H2O]+ 257.06122 158.2
[M+HCOO]- 319.06216 175.3
[M+CH3COO]- 333.07781 203.0
[M+Na-2H]- 295.03863 164.1
[M]+ 274.06341 164.5
[M]- 274.06451 164.5
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.