CID 49950

2',6'-dichloro-2-diethylamino-4'-nitroacetanilide

Structural Information

Molecular Formula
C12H15Cl2N3O3
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H15Cl2N3O3/c1-3-16(4-2)7-11(18)15-12-9(13)5-8(17(19)20)6-10(12)14/h5-6H,3-4,7H2,1-2H3,(H,15,18)
InChIKey
RPTCWTYXIOWEFX-UHFFFAOYSA-N
Compound name
N-(2,6-dichloro-4-nitrophenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.04904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.05632 171.3
[M+Na]+ 342.03826 177.7
[M-H]- 318.04176 175.3
[M+NH4]+ 337.08286 186.4
[M+K]+ 358.01220 170.2
[M+H-H2O]+ 302.04630 170.9
[M+HCOO]- 364.04724 188.2
[M+CH3COO]- 378.06289 207.4
[M+Na-2H]- 340.02371 173.8
[M]+ 319.04849 175.2
[M]- 319.04959 175.2
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.