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

43
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 195.8
[M+Na]+ 447.08489 201.2
[M-H]- 423.08839 201.7
[M+NH4]+ 442.12949 206.5
[M+K]+ 463.05883 196.6
[M+H-H2O]+ 407.09293 189.0
[M+HCOO]- 469.09387 208.2
[M+CH3COO]- 483.10952 230.4
[M+Na-2H]- 445.07034 194.0
[M]+ 424.09512 202.7
[M]- 424.09622 202.7
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