CID 217340

Brn 2781112

Structural Information

Molecular Formula
C20H24Cl4N2O
SMILES
C1=CC(=CC=C1N(CCCl)CCCl)OC2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C20H24Cl4N2O/c21-9-13-25(14-10-22)17-1-5-19(6-2-17)27-20-7-3-18(4-8-20)26(15-11-23)16-12-24/h1-8H,9-16H2
InChIKey
GEKLCOCNHHAYOT-UHFFFAOYSA-N
Compound name
4-[4-[bis(2-chloroethyl)amino]phenoxy]-N,N-bis(2-chloroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.06427 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.07155 205.0
[M+Na]+ 471.05349 218.8
[M+NH4]+ 466.09809 212.9
[M+K]+ 487.02743 207.7
[M-H]- 447.05699 209.7
[M+Na-2H]- 469.03894 212.2
[M]+ 448.06372 209.5
[M]- 448.06482 209.5
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.