CID 25358

M-dioxane, 2-(p-bis(2-(chloroethyl)amino)phenyl)-

Structural Information

Molecular Formula
C14H19Cl2NO2
SMILES
C1COC(OC1)C2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C14H19Cl2NO2/c15-6-8-17(9-7-16)13-4-2-12(3-5-13)14-18-10-1-11-19-14/h2-5,14H,1,6-11H2
InChIKey
ZDLSLAQPFGCCKH-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-(1,3-dioxan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07928 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08656 171.2
[M+Na]+ 326.06850 176.1
[M-H]- 302.07200 178.2
[M+NH4]+ 321.11310 184.7
[M+K]+ 342.04244 173.8
[M+H-H2O]+ 286.07654 164.3
[M+HCOO]- 348.07748 181.4
[M+CH3COO]- 362.09313 204.7
[M+Na-2H]- 324.05395 175.0
[M]+ 303.07873 174.2
[M]- 303.07983 174.2
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.