CID 3025611

104628-21-9

Structural Information

Molecular Formula

C₂₀H₁₉ClN₂O

SMILES

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

InChI

InChI=1S/C20H19ClN2O/c21-14-9-10-15-17(11-14)23-16-7-4-8-18(24)19(16)20(15)22-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,24H,4,7-8,12H2,(H,22,23)

InChIKey

UFBJNPUZMUQXFV-UHFFFAOYSA-N

Compound name

9-(benzylamino)-6-chloro-1,2,3,4-tetrahydroacridin-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 338.1186 Da
Monoisotopic Mass: 4.2
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]+	339.12588	177.6
[M+Na]+	361.10782	185.3
[M-H]-	337.11132	182.5
[M+NH4]+	356.15242	191.6
[M+K]+	377.08176	177.2
[M+H-H2O]+	321.11586	168.6
[M+HCOO]-	383.11680	190.2
[M+CH3COO]-	397.13245	187.1
[M+Na-2H]-	359.09327	183.3
[M]+	338.11805	176.6
[M]-	338.11915	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe