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]+ 441.113106 203.9
[M+Na]+ 463.095048 210.9
[M-H]- 439.098554 212.0
[M+NH4]+ 458.139653 211.0
[M+K]+ 479.068988 202.8
[M+H-H2O]+ 423.103090 191.7
[M+HCOO]- 485.104031 209.9
[M+CH3COO]- 499.119681 211.3
[M+Na-2H]- 461.080496 202.3
[M]+ 440.10528142 204.8
[M]- 440.10637858 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