CID 3043325

1,4-benzenedimethanamine, 2,3,5,6-tetrachloro-n,n,n',n'-tetraethyl-, dihydrochloride

Structural Information

Molecular Formula
C16H24Cl4N2
SMILES
CCN(CC)CC1=C(C(=C(C(=C1Cl)Cl)CN(CC)CC)Cl)Cl
InChI
InChI=1S/C16H24Cl4N2/c1-5-21(6-2)9-11-13(17)15(19)12(16(20)14(11)18)10-22(7-3)8-4/h5-10H2,1-4H3
InChIKey
DPSQXPRSSCWAMQ-UHFFFAOYSA-N
Compound name
N-ethyl-N-[[2,3,5,6-tetrachloro-4-(diethylaminomethyl)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.06937 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07665 190.2
[M+Na]+ 407.05859 198.2
[M-H]- 383.06209 192.7
[M+NH4]+ 402.10319 204.7
[M+K]+ 423.03253 192.5
[M+H-H2O]+ 367.06663 186.0
[M+HCOO]- 429.06757 194.5
[M+CH3COO]- 443.08322 231.0
[M+Na-2H]- 405.04404 186.2
[M]+ 384.06882 197.5
[M]- 384.06992 197.5
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.