CID 24212733

853328-46-8

Structural Information

Molecular Formula
C20H20ClNO3
SMILES
COC1=CC=CC(=C1Cl)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4
InChI
InChI=1S/C20H20ClNO3/c1-25-16-10-2-5-11(20(16)21)17-18-12(6-3-8-14(18)23)22-13-7-4-9-15(24)19(13)17/h2,5,10,17,22H,3-4,6-9H2,1H3
InChIKey
OAGRNAAZLHKKAV-UHFFFAOYSA-N
Compound name
9-(2-chloro-3-methoxyphenyl)-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

357.11316 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12044 183.0
[M+Na]+ 380.10238 190.5
[M-H]- 356.10588 187.7
[M+NH4]+ 375.14698 196.5
[M+K]+ 396.07632 183.2
[M+H-H2O]+ 340.11042 174.4
[M+HCOO]- 402.11136 190.8
[M+CH3COO]- 416.12701 191.8
[M+Na-2H]- 378.08783 183.7
[M]+ 357.11261 180.5
[M]- 357.11371 180.5
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.