CID 208236

31805-09-1

Structural Information

Molecular Formula
C28H31ClN2O2
SMILES
C1CN(CCN1CCCC2(C(C3=CC=CC=C3C2O)O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C28H31ClN2O2/c29-22-10-6-11-23(20-22)31-18-16-30(17-19-31)15-7-14-28(21-8-2-1-3-9-21)26(32)24-12-4-5-13-25(24)27(28)33/h1-6,8-13,20,26-27,32-33H,7,14-19H2
InChIKey
NMBDNONTUMMICB-UHFFFAOYSA-N
Compound name
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-phenyl-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.2074 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21468 216.5
[M+Na]+ 485.19662 232.1
[M+NH4]+ 480.24122 226.1
[M+K]+ 501.17056 221.2
[M-H]- 461.20012 224.0
[M+Na-2H]- 483.18207 225.7
[M]+ 462.20685 221.5
[M]- 462.20795 221.5
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.