CID 342820

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

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CN1CCN(CC1)CC(COC2=C3C=CC=CC3=NC4=CC=CC=C42)O
InChI
InChI=1S/C21H25N3O2/c1-23-10-12-24(13-11-23)14-16(25)15-26-21-17-6-2-4-8-19(17)22-20-9-5-3-7-18(20)21/h2-9,16,25H,10-15H2,1H3
InChIKey
WDRFSSXMFZWUNJ-UHFFFAOYSA-N
Compound name
1-acridin-9-yloxy-3-(4-methylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 185.9
[M+Na]+ 374.18389 191.5
[M-H]- 350.18739 187.7
[M+NH4]+ 369.22849 195.3
[M+K]+ 390.15783 185.1
[M+H-H2O]+ 334.19193 174.1
[M+HCOO]- 396.19287 197.8
[M+CH3COO]- 410.20852 193.4
[M+Na-2H]- 372.16934 190.5
[M]+ 351.19412 184.5
[M]- 351.19522 184.5
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.