CID 88904

Brn 1595182

Structural Information

Molecular Formula
C16H22Cl2N2O2
SMILES
CC1=C(C=C(C=C1)C(=O)N2CCOCC2)N(CCCl)CCCl
InChI
InChI=1S/C16H22Cl2N2O2/c1-13-2-3-14(16(21)20-8-10-22-11-9-20)12-15(13)19(6-4-17)7-5-18/h2-3,12H,4-11H2,1H3
InChIKey
SWMGZHSQTIHKNA-UHFFFAOYSA-N
Compound name
[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11311 178.9
[M+Na]+ 367.09505 191.5
[M+NH4]+ 362.13965 186.5
[M+K]+ 383.06899 183.9
[M-H]- 343.09855 183.7
[M+Na-2H]- 365.08050 184.5
[M]+ 344.10528 182.5
[M]- 344.10638 182.5
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.