CID 20721

Ketone, m-(bis(2-chloroethyl)amino)phenyl morpholino

Structural Information

Molecular Formula
C15H20Cl2N2O2
SMILES
C1COCCN1C(=O)C2=CC(=CC=C2)N(CCCl)CCCl
InChI
InChI=1S/C15H20Cl2N2O2/c16-4-6-18(7-5-17)14-3-1-2-13(12-14)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2
InChIKey
KMZZDAZLILAJHI-UHFFFAOYSA-N
Compound name
[3-[bis(2-chloroethyl)amino]phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.09018 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09746 175.9
[M+Na]+ 353.07940 180.3
[M-H]- 329.08290 180.9
[M+NH4]+ 348.12400 188.2
[M+K]+ 369.05334 176.8
[M+H-H2O]+ 313.08744 167.8
[M+HCOO]- 375.08838 184.8
[M+CH3COO]- 389.10403 209.5
[M+Na-2H]- 351.06485 177.6
[M]+ 330.08963 177.9
[M]- 330.09073 177.9
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.