CID 3025629

1,2,3,4-tetrahydro-9-((3-phenoxypropyl)amino)-1-acridinol

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCCCOC4=CC=CC=C4)O
InChI
InChI=1S/C22H24N2O2/c25-20-13-6-12-19-21(20)22(17-10-4-5-11-18(17)24-19)23-14-7-15-26-16-8-2-1-3-9-16/h1-5,8-11,20,25H,6-7,12-15H2,(H,23,24)
InChIKey
OMPBZSLBVKDSJL-UHFFFAOYSA-N
Compound name
9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

348.18378 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.191056 181.6
[M+Na]+ 371.172998 186.4
[M-H]- 347.176504 186.0
[M+NH4]+ 366.217603 193.8
[M+K]+ 387.146938 179.9
[M+H-H2O]+ 331.181040 171.3
[M+HCOO]- 393.181981 198.2
[M+CH3COO]- 407.197631 190.1
[M+Na-2H]- 369.158446 187.7
[M]+ 348.18323142 179.7
[M]- 348.18432858 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe