CID 53127

Acetanilide, 4'-chloro-2-(diethylamino)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
CCN(CC)CC(=O)N(C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H19ClN2O/c1-4-16(5-2)10-13(17)15(3)12-8-6-11(14)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKey
NNFUEAORQJQDAE-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-(diethylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11859 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.125866 159.9
[M+Na]+ 277.107808 166.0
[M-H]- 253.111314 165.9
[M+NH4]+ 272.152413 178.7
[M+K]+ 293.081748 164.2
[M+H-H2O]+ 237.115850 153.4
[M+HCOO]- 299.116791 181.1
[M+CH3COO]- 313.132441 206.3
[M+Na-2H]- 275.093256 162.5
[M]+ 254.11804142 164.9
[M]- 254.11913858 164.9
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.