CID 60601

Suronacrine

Structural Information

Molecular Formula

C₂₀H₂₀N₂O

SMILES

C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CC=C4)O

InChI

InChI=1S/C20H20N2O/c23-18-12-6-11-17-19(18)20(15-9-4-5-10-16(15)22-17)21-13-14-7-2-1-3-8-14/h1-5,7-10,18,23H,6,11-13H2,(H,21,22)

InChIKey

HERUZAOANPGYSY-UHFFFAOYSA-N

Compound name

9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 452
Patents: 304.15756 Da
Monoisotopic Mass: 3.6
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]+	305.164836	169.8
[M+Na]+	327.146778	175.8
[M-H]-	303.150284	174.7
[M+NH4]+	322.191383	184.0
[M+K]+	343.120718	169.0
[M+H-H2O]+	287.154820	160.2
[M+HCOO]-	349.155761	187.0
[M+CH3COO]-	363.171411	179.4
[M+Na-2H]-	325.132226	176.9
[M]+	304.15701142	166.0
[M]-	304.15810858	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe