CID 3025633

1,2,3,4-tetrahydro-9-(propylamino)-1-acridinol

Structural Information

Molecular Formula
C16H20N2O
SMILES
CCCNC1=C2C(CCCC2=NC3=CC=CC=C31)O
InChI
InChI=1S/C16H20N2O/c1-2-10-17-16-11-6-3-4-7-12(11)18-13-8-5-9-14(19)15(13)16/h3-4,6-7,14,19H,2,5,8-10H2,1H3,(H,17,18)
InChIKey
XRKIMANYLDOPAR-UHFFFAOYSA-N
Compound name
9-(propylamino)-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

256.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 158.5
[M+Na]+ 279.14678 165.0
[M-H]- 255.15028 160.5
[M+NH4]+ 274.19138 175.4
[M+K]+ 295.12072 159.7
[M+H-H2O]+ 239.15482 150.7
[M+HCOO]- 301.15576 175.8
[M+CH3COO]- 315.17141 169.0
[M+Na-2H]- 277.13223 165.2
[M]+ 256.15701 156.0
[M]- 256.15811 156.0
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