CID 3654103

Brl-15572

Structural Information

Molecular Formula
C25H27ClN2O
SMILES
C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2
InChIKey
QJHCTHPYUOXOGM-UHFFFAOYSA-N
Compound name
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

59
Patents

406.18118 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18846 201.8
[M+Na]+ 429.17040 218.0
[M+NH4]+ 424.21500 210.2
[M+K]+ 445.14434 207.7
[M-H]- 405.17390 209.7
[M+Na-2H]- 427.15585 212.9
[M]+ 406.18063 206.9
[M]- 406.18173 206.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe