CID 3550454

1,4-bis(5-chloro-2-methoxybenzoyl)piperazine

Structural Information

Molecular Formula
C20H20Cl2N2O4
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)OC
InChI
InChI=1S/C20H20Cl2N2O4/c1-27-17-5-3-13(21)11-15(17)19(25)23-7-9-24(10-8-23)20(26)16-12-14(22)4-6-18(16)28-2/h3-6,11-12H,7-10H2,1-2H3
InChIKey
ODESBGCCVZZCJD-UHFFFAOYSA-N
Compound name
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.08002 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08730 194.0
[M+Na]+ 445.06924 209.0
[M+NH4]+ 440.11384 200.2
[M+K]+ 461.04318 201.6
[M-H]- 421.07274 197.8
[M+Na-2H]- 443.05469 200.9
[M]+ 422.07947 197.7
[M]- 422.08057 197.7
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

No patent data available for this compound.