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 203.2
[M+Na]+ 471.05349 208.4
[M-H]- 447.05699 207.3
[M+NH4]+ 466.09809 214.1
[M+K]+ 487.02743 202.1
[M+H-H2O]+ 431.06153 196.0
[M+HCOO]- 493.06247 207.8
[M+CH3COO]- 507.07812 236.1
[M+Na-2H]- 469.03894 201.8
[M]+ 448.06372 210.7
[M]- 448.06482 210.7
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.