CID 58008

100794-93-2

Structural Information

Molecular Formula
C14H20Cl2N2O
SMILES
CCN(CC)C(C)CC(=O)NC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C14H20Cl2N2O/c1-4-18(5-2)10(3)8-14(19)17-13-7-6-11(15)9-12(13)16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,19)
InChIKey
WWWSCOXEFNEXKF-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-3-(diethylamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09528 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10256 170.4
[M+Na]+ 325.08450 177.0
[M-H]- 301.08800 174.4
[M+NH4]+ 320.12910 187.2
[M+K]+ 341.05844 172.5
[M+H-H2O]+ 285.09254 165.2
[M+HCOO]- 347.09348 184.8
[M+CH3COO]- 361.10913 212.1
[M+Na-2H]- 323.06995 170.5
[M]+ 302.09473 175.4
[M]- 302.09583 175.4
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.