CID 24212578

853313-21-0

Structural Information

Molecular Formula
C18H17ClN2O2
SMILES
C1CC2=C(C(C3=C(N2)CCCC3=O)C4=C(C=NC=C4)Cl)C(=O)C1
InChI
InChI=1S/C18H17ClN2O2/c19-11-9-20-8-7-10(11)16-17-12(3-1-5-14(17)22)21-13-4-2-6-15(23)18(13)16/h7-9,16,21H,1-6H2
InChIKey
AQVROVNQBCNBKP-UHFFFAOYSA-N
Compound name
9-(3-chloro-4-pyridinyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.09787 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.105146 176.1
[M+Na]+ 351.087088 183.7
[M-H]- 327.090594 179.2
[M+NH4]+ 346.131693 189.2
[M+K]+ 367.061028 175.9
[M+H-H2O]+ 311.095130 166.7
[M+HCOO]- 373.096071 183.0
[M+CH3COO]- 387.111721 184.7
[M+Na-2H]- 349.072536 178.4
[M]+ 328.09732142 171.5
[M]- 328.09841858 171.5
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.