CID 15128

Win 13099

Structural Information

Molecular Formula
C16H20Cl4N2O2
SMILES
CCN(CC1=CC=C(C=C1)CN(CC)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C16H20Cl4N2O2/c1-3-21(15(23)13(17)18)9-11-5-7-12(8-6-11)10-22(4-2)16(24)14(19)20/h5-8,13-14H,3-4,9-10H2,1-2H3
InChIKey
AEHLRHNHBHGHBT-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-ethylamino]methyl]phenyl]methyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.0279 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.03518 188.9
[M+Na]+ 435.01712 193.5
[M-H]- 411.02062 191.3
[M+NH4]+ 430.06172 201.3
[M+K]+ 450.99106 189.4
[M+H-H2O]+ 395.02516 184.9
[M+HCOO]- 457.02610 191.2
[M+CH3COO]- 471.04175 230.7
[M+Na-2H]- 433.00257 184.3
[M]+ 412.02735 194.9
[M]- 412.02845 194.9
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

patents stripe