CID 32136

23902-91-2

Structural Information

Molecular Formula
C26H27ClN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H27ClN2O2/c1-31-25-10-6-5-9-24(25)28-15-17-29(18-16-28)26(30)19-23(20-7-3-2-4-8-20)21-11-13-22(27)14-12-21/h2-14,23H,15-19H2,1H3
InChIKey
JDTFZNXSBNLHFV-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.17612 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.18340 206.2
[M+Na]+ 457.16534 209.7
[M-H]- 433.16884 214.0
[M+NH4]+ 452.20994 212.2
[M+K]+ 473.13928 202.3
[M+H-H2O]+ 417.17338 193.2
[M+HCOO]- 479.17432 215.6
[M+CH3COO]- 493.18997 212.6
[M+Na-2H]- 455.15079 204.6
[M]+ 434.17557 204.7
[M]- 434.17667 204.7
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.