CID 11971044

Brn 4597433

Structural Information

Molecular Formula
C28H30ClN3O2
SMILES
CC1=C(NC2=CC=CC=C12)C3=CC=C(C=C3)OCC(CN4CCN(CC4)C5=CC=CC=C5Cl)O
InChI
InChI=1S/C28H30ClN3O2/c1-20-24-6-2-4-8-26(24)30-28(20)21-10-12-23(13-11-21)34-19-22(33)18-31-14-16-32(17-15-31)27-9-5-3-7-25(27)29/h2-13,22,30,33H,14-19H2,1H3
InChIKey
RIZKCCNIAYHENX-UHFFFAOYSA-N
Compound name
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[4-(3-methyl-1H-indol-2-yl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.20267 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.20995 219.4
[M+Na]+ 498.19189 236.0
[M+NH4]+ 493.23649 226.7
[M+K]+ 514.16583 227.5
[M-H]- 474.19539 226.4
[M+Na-2H]- 496.17734 228.0
[M]+ 475.20212 224.2
[M]- 475.20322 224.2
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.