CID 4719657

[(3,4-dichlorophenyl)methyl][3-(dimethylamino)propyl]amine

Structural Information

Molecular Formula
C12H18Cl2N2
SMILES
CN(C)CCCNCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H18Cl2N2/c1-16(2)7-3-6-15-9-10-4-5-11(13)12(14)8-10/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKey
FIGFDBVBDYLQFP-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

260.08472 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09200 159.8
[M+Na]+ 283.07394 167.3
[M-H]- 259.07744 163.7
[M+NH4]+ 278.11854 178.4
[M+K]+ 299.04788 162.3
[M+H-H2O]+ 243.08198 154.5
[M+HCOO]- 305.08292 176.1
[M+CH3COO]- 319.09857 204.0
[M+Na-2H]- 281.05939 163.2
[M]+ 260.08417 164.4
[M]- 260.08527 164.4
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