CID 345321

6-chloro-2-methoxy-9-phenoxyacridine

Structural Information

Molecular Formula

C₂₀H₁₄ClNO₂

SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)OC4=CC=CC=C4

InChI

InChI=1S/C20H14ClNO2/c1-23-15-8-10-18-17(12-15)20(24-14-5-3-2-4-6-14)16-9-7-13(21)11-19(16)22-18/h2-12H,1H3

InChIKey

CKWITQOQGJPKOE-UHFFFAOYSA-N

Compound name

6-chloro-2-methoxy-9-phenoxyacridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 335.07132 Da
Monoisotopic Mass: 5.7
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]+	336.078596	176.1
[M+Na]+	358.060538	187.9
[M-H]-	334.064044	183.7
[M+NH4]+	353.105143	191.4
[M+K]+	374.034478	180.8
[M+H-H2O]+	318.068580	166.6
[M+HCOO]-	380.069521	193.4
[M+CH3COO]-	394.085171	188.1
[M+Na-2H]-	356.045986	184.4
[M]+	335.07077142	182.9
[M]-	335.07186858	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe