CID 217341

Brn 2786963

Structural Information

Molecular Formula
C22H28Cl4N2O2
SMILES
C1=CC(=CC=C1N(CCCl)CCCl)OCCOC2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C22H28Cl4N2O2/c23-9-13-27(14-10-24)19-1-5-21(6-2-19)29-17-18-30-22-7-3-20(4-8-22)28(15-11-25)16-12-26/h1-8H,9-18H2
InChIKey
IOIWULUGAIJKOZ-UHFFFAOYSA-N
Compound name
4-[2-[4-[bis(2-chloroethyl)amino]phenoxy]ethoxy]-N,N-bis(2-chloroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.09048 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.09776 215.0
[M+Na]+ 515.07970 227.9
[M+NH4]+ 510.12430 222.0
[M+K]+ 531.05364 216.9
[M-H]- 491.08320 219.2
[M+Na-2H]- 513.06515 221.3
[M]+ 492.08993 219.2
[M]- 492.09103 219.2
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.