CID 3058813

75616-01-2

Structural Information

Molecular Formula
C20H20Cl2N2O2
SMILES
CC(=C)CNCC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H20Cl2N2O2/c1-13(2)11-23-12-19(25)24(3)18-9-8-14(21)10-16(18)20(26)15-6-4-5-7-17(15)22/h4-10,23H,1,11-12H2,2-3H3
InChIKey
RDPFDPOYAIAAQU-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-(2-methylprop-2-enylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.09018 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09746 190.8
[M+Na]+ 413.07940 197.3
[M-H]- 389.08290 197.9
[M+NH4]+ 408.12400 203.6
[M+K]+ 429.05334 191.3
[M+H-H2O]+ 373.08744 184.0
[M+HCOO]- 435.08838 204.3
[M+CH3COO]- 449.10403 227.8
[M+Na-2H]- 411.06485 188.9
[M]+ 390.08963 195.9
[M]- 390.09073 195.9
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