CID 353226

Alpha-((9-acridinyloxy)methyl)-4-(3-chlorophenyl)-1-piperazineethanol

Structural Information

Molecular Formula
C26H26ClN3O2
SMILES
C1CN(CCN1CC(COC2=C3C=CC=CC3=NC4=CC=CC=C42)O)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C26H26ClN3O2/c27-19-6-5-7-20(16-19)30-14-12-29(13-15-30)17-21(31)18-32-26-22-8-1-3-10-24(22)28-25-11-4-2-9-23(25)26/h1-11,16,21,31H,12-15,17-18H2
InChIKey
SVPBRBRZDBTVDF-UHFFFAOYSA-N
Compound name
1-acridin-9-yloxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.17136 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.17864 207.2
[M+Na]+ 470.16058 213.1
[M-H]- 446.16408 211.5
[M+NH4]+ 465.20518 213.0
[M+K]+ 486.13452 204.2
[M+H-H2O]+ 430.16862 193.6
[M+HCOO]- 492.16956 213.7
[M+CH3COO]- 506.18521 213.1
[M+Na-2H]- 468.14603 210.3
[M]+ 447.17081 207.3
[M]- 447.17191 207.3
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.