CID 391392

Nsc690565

Structural Information

Molecular Formula
C16H14Cl2N2O
SMILES
CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3N2)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O/c1-2-7-19-14-10(17)8-11(18)15-13(14)16(21)9-5-3-4-6-12(9)20-15/h3-6,8,19H,2,7H2,1H3,(H,20,21)
InChIKey
QHAXEANHMSYQQY-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(propylamino)-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0483 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05558 168.2
[M+Na]+ 343.03752 181.1
[M-H]- 319.04102 171.1
[M+NH4]+ 338.08212 184.7
[M+K]+ 359.01146 172.3
[M+H-H2O]+ 303.04556 162.3
[M+HCOO]- 365.04650 180.3
[M+CH3COO]- 379.06215 179.8
[M+Na-2H]- 341.02297 175.0
[M]+ 320.04775 173.8
[M]- 320.04885 173.8
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.