CID 3053588

Triethylamine, ethylenedioxybis(2,2'-dichloro-, hydrochloride

Structural Information

Molecular Formula
C14H28Cl4N2O2
SMILES
C(COCCOCCN(CCCl)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C14H28Cl4N2O2/c15-1-5-19(6-2-16)9-11-21-13-14-22-12-10-20(7-3-17)8-4-18/h1-14H2
InChIKey
TYRZMZUTSQSSEQ-UHFFFAOYSA-N
Compound name
2-[2-[2-[bis(2-chloroethyl)amino]ethoxy]ethoxy]-N,N-bis(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.09048 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.09776 192.2
[M+Na]+ 419.07970 195.5
[M-H]- 395.08320 190.4
[M+NH4]+ 414.12430 205.1
[M+K]+ 435.05364 191.0
[M+H-H2O]+ 379.08774 187.7
[M+HCOO]- 441.08868 196.3
[M+CH3COO]- 455.10433 228.1
[M+Na-2H]- 417.06515 190.3
[M]+ 396.08993 201.4
[M]- 396.09103 201.4
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.