CID 71142

75615-92-8

Structural Information

Molecular Formula
C20H22Cl2N2O4
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CN(CCO)CCO
InChI
InChI=1S/C20H22Cl2N2O4/c1-23(19(27)13-24(8-10-25)9-11-26)18-7-6-14(21)12-16(18)20(28)15-4-2-3-5-17(15)22/h2-7,12,25-26H,8-11,13H2,1H3
InChIKey
BYWMOMBWRFUAMC-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

424.09567 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10295 197.0
[M+Na]+ 447.08489 208.3
[M+NH4]+ 442.12949 202.5
[M+K]+ 463.05883 202.1
[M-H]- 423.08839 200.0
[M+Na-2H]- 445.07034 202.3
[M]+ 424.09512 199.8
[M]- 424.09622 199.8
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