CID 4719880

[(3,4-dichlorophenyl)methyl][2-(diethylamino)ethyl]amine

Structural Information

Molecular Formula
C13H20Cl2N2
SMILES
CCN(CC)CCNCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H20Cl2N2/c1-3-17(4-2)8-7-16-10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKey
NNLSWOKOLBTIRH-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.10034 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10762 164.4
[M+Na]+ 297.08956 171.5
[M-H]- 273.09306 168.1
[M+NH4]+ 292.13416 182.4
[M+K]+ 313.06350 166.3
[M+H-H2O]+ 257.09760 158.9
[M+HCOO]- 319.09854 180.4
[M+CH3COO]- 333.11419 207.0
[M+Na-2H]- 295.07501 167.2
[M]+ 274.09979 169.3
[M]- 274.10089 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe