CID 116493

Benzene, bis(p-beta-(n-beta'-chloroethyl-n-ethylamino)ethoxy)-, dihydrochloride

Structural Information

Molecular Formula
C18H30Cl2N2O2
SMILES
CCN(CCOC1=CC=C(C=C1)OCCN(CC)CCCl)CCCl
InChI
InChI=1S/C18H30Cl2N2O2/c1-3-21(11-9-19)13-15-23-17-5-7-18(8-6-17)24-16-14-22(4-2)12-10-20/h5-8H,3-4,9-16H2,1-2H3
InChIKey
QYNNXZJUVFSGND-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-[4-[2-[2-chloroethyl(ethyl)amino]ethoxy]phenoxy]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.16843 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17571 192.4
[M+Na]+ 399.15765 196.6
[M-H]- 375.16115 196.5
[M+NH4]+ 394.20225 206.6
[M+K]+ 415.13159 192.6
[M+H-H2O]+ 359.16569 185.1
[M+HCOO]- 421.16663 207.8
[M+CH3COO]- 435.18228 227.6
[M+Na-2H]- 397.14310 192.8
[M]+ 376.16788 203.1
[M]- 376.16898 203.1
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.