CID 1051919

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C20H23Cl2N3O3
SMILES
COC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)OC)Cl
InChI
InChI=1S/C20H23Cl2N3O3/c1-27-18-12-17(19(28-2)11-16(18)22)23-20(26)13-24-6-8-25(9-7-24)15-5-3-4-14(21)10-15/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,26)
InChIKey
QMRBPBVKQOMMBJ-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.11163 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.11891 197.3
[M+Na]+ 446.10085 203.9
[M-H]- 422.10435 202.9
[M+NH4]+ 441.14545 205.6
[M+K]+ 462.07479 197.7
[M+H-H2O]+ 406.10889 187.1
[M+HCOO]- 468.10983 205.0
[M+CH3COO]- 482.12548 226.2
[M+Na-2H]- 444.08630 196.4
[M]+ 423.11108 200.3
[M]- 423.11218 200.3
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.