CID 3050094

Brn 5142563

Structural Information

Molecular Formula
C19H18Cl2N2O3
SMILES
CCC(=O)NCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C19H18Cl2N2O3/c1-3-17(24)22-11-18(25)23(2)16-9-8-12(20)10-14(16)19(26)13-6-4-5-7-15(13)21/h4-10H,3,11H2,1-2H3,(H,22,24)
InChIKey
SKURGGFMLSJSOE-UHFFFAOYSA-N
Compound name
N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.06946 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07674 188.9
[M+Na]+ 415.05868 195.6
[M-H]- 391.06218 196.3
[M+NH4]+ 410.10328 201.6
[M+K]+ 431.03262 190.6
[M+H-H2O]+ 375.06672 182.1
[M+HCOO]- 437.06766 203.0
[M+CH3COO]- 451.08331 226.4
[M+Na-2H]- 413.04413 187.7
[M]+ 392.06891 195.0
[M]- 392.07001 195.0
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

No patent data available for this compound.