CID 32134

23902-88-7

Structural Information

Molecular Formula
C30H35ClN2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C30H35ClN2O/c1-30(2,3)26-13-9-23(10-14-26)22-32-17-19-33(20-18-32)29(34)21-28(24-7-5-4-6-8-24)25-11-15-27(31)16-12-25/h4-16,28H,17-22H2,1-3H3
InChIKey
KSSCQOYOOOZQGL-UHFFFAOYSA-N
Compound name
1-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-(4-chlorophenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.2438 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.25108 222.0
[M+Na]+ 497.23302 237.7
[M+NH4]+ 492.27762 229.4
[M+K]+ 513.20696 227.4
[M-H]- 473.23652 229.4
[M+Na-2H]- 495.21847 232.1
[M]+ 474.24325 226.9
[M]- 474.24435 226.9
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.