CID 21723

Teclozan

Structural Information

Molecular Formula
C20H28Cl4N2O4
SMILES
CCOCCN(CC1=CC=C(C=C1)CN(CCOCC)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C20H28Cl4N2O4/c1-3-29-11-9-25(19(27)17(21)22)13-15-5-7-16(8-6-15)14-26(10-12-30-4-2)20(28)18(23)24/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKey
MSJLJWCAEPENBL-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

643
Patents

500.08032 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.087596 208.9
[M+Na]+ 523.069538 211.9
[M-H]- 499.073044 211.1
[M+NH4]+ 518.114143 218.1
[M+K]+ 539.043478 208.4
[M+H-H2O]+ 483.077580 204.2
[M+HCOO]- 545.078521 210.8
[M+CH3COO]- 559.094171 244.6
[M+Na-2H]- 521.054986 203.0
[M]+ 500.07977142 219.2
[M]- 500.08086858 219.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe