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 213.3
[M+Na]+ 515.07970 217.6
[M-H]- 491.08320 217.2
[M+NH4]+ 510.12430 222.5
[M+K]+ 531.05364 211.6
[M+H-H2O]+ 475.08774 205.6
[M+HCOO]- 537.08868 217.6
[M+CH3COO]- 551.10433 243.0
[M+Na-2H]- 513.06515 211.2
[M]+ 492.08993 222.9
[M]- 492.09103 222.9
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.