CID 25165933

Diaryl piperazine derivative 1

Structural Information

Molecular Formula
C24H22Cl2N2O2
SMILES
COC1=CC=CC=C1C(=O)N2CCN(C(C2)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H22Cl2N2O2/c1-30-23-10-6-5-9-19(23)24(29)27-13-14-28(21-12-11-18(25)15-20(21)26)22(16-27)17-7-3-2-4-8-17/h2-12,15,22H,13-14,16H2,1H3
InChIKey
HXMSNSZTEVRLDE-UHFFFAOYSA-N
Compound name
[4-(2,4-dichlorophenyl)-3-phenylpiperazin-1-yl]-(2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

440.10583 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.11311 203.9
[M+Na]+ 463.09505 210.9
[M-H]- 439.09855 212.0
[M+NH4]+ 458.13965 211.0
[M+K]+ 479.06899 202.8
[M+H-H2O]+ 423.10309 191.7
[M+HCOO]- 485.10403 209.9
[M+CH3COO]- 499.11968 211.3
[M+Na-2H]- 461.08050 202.3
[M]+ 440.10528 204.8
[M]- 440.10638 204.8
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