CID 391394

Nsc690567

Structural Information

Molecular Formula
C18H16Cl2N2O
SMILES
C1CCN(CC1)C2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O/c19-12-10-13(20)17(22-8-4-1-5-9-22)15-16(12)21-14-7-3-2-6-11(14)18(15)23/h2-3,6-7,10H,1,4-5,8-9H2,(H,21,23)
InChIKey
SHUBNOIKJDJGQO-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-piperidin-1-yl-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.06396 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07124 176.3
[M+Na]+ 369.05318 187.2
[M-H]- 345.05668 179.7
[M+NH4]+ 364.09778 189.7
[M+K]+ 385.02712 177.9
[M+H-H2O]+ 329.06122 167.4
[M+HCOO]- 391.06216 182.1
[M+CH3COO]- 405.07781 185.9
[M+Na-2H]- 367.03863 180.7
[M]+ 346.06341 176.7
[M]- 346.06451 176.7
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.