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

4001
Patents

258.056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.063276 154.1
[M+Na]+ 281.045218 166.9
[M-H]- 257.048724 158.7
[M+NH4]+ 276.089823 172.9
[M+K]+ 297.019158 160.5
[M+H-H2O]+ 241.053260 147.4
[M+HCOO]- 303.054201 172.8
[M+CH3COO]- 317.069851 167.5
[M+Na-2H]- 279.030666 163.1
[M]+ 258.05545142 158.8
[M]- 258.05654858 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

literature stripe

Patent stripe

patents stripe