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

3
Patents

335.07132 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07860 176.1
[M+Na]+ 358.06054 197.0
[M+NH4]+ 353.10514 186.7
[M+K]+ 374.03448 185.3
[M-H]- 334.06404 183.2
[M+Na-2H]- 356.04599 187.7
[M]+ 335.07077 182.0
[M]- 335.07187 182.0
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

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