CID 3025633

104675-34-5

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe