CID 3058802

75615-91-7

Structural Information

Molecular Formula
C19H20Cl2N2O3
SMILES
CN(CCO)CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C19H20Cl2N2O3/c1-22(9-10-24)12-18(25)23(2)17-8-7-13(20)11-15(17)19(26)14-5-3-4-6-16(14)21/h3-8,11,24H,9-10,12H2,1-2H3
InChIKey
NIJWVPVZQOUDNJ-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

394.08508 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09236 189.5
[M+Na]+ 417.07430 195.9
[M-H]- 393.07780 196.9
[M+NH4]+ 412.11890 202.2
[M+K]+ 433.04824 191.5
[M+H-H2O]+ 377.08234 182.7
[M+HCOO]- 439.08328 203.4
[M+CH3COO]- 453.09893 227.7
[M+Na-2H]- 415.05975 188.3
[M]+ 394.08453 196.4
[M]- 394.08563 196.4
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