CID 19080

9-amino-6-chloro-2-methoxyacridine

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N
InChI
InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)
InChIKey
IHHSSHCBRVYGJX-UHFFFAOYSA-N
Compound name
6-chloro-2-methoxyacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

71
References

3943
Patents

258.056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 154.1
[M+Na]+ 281.04522 166.9
[M-H]- 257.04872 158.7
[M+NH4]+ 276.08982 172.9
[M+K]+ 297.01916 160.5
[M+H-H2O]+ 241.05326 147.4
[M+HCOO]- 303.05420 172.8
[M+CH3COO]- 317.06985 167.5
[M+Na-2H]- 279.03067 163.1
[M]+ 258.05545 158.8
[M]- 258.05655 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.