CID 24212886

853333-92-3

Structural Information

Molecular Formula
C23H25ClFNO2
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=C(C=C(C=C4)F)Cl)C(=O)C1)C
InChI
InChI=1S/C23H25ClFNO2/c1-22(2)8-15-20(17(27)10-22)19(13-6-5-12(25)7-14(13)24)21-16(26-15)9-23(3,4)11-18(21)28/h5-7,19,26H,8-11H2,1-4H3
InChIKey
YSDOSEAWIWMCTN-UHFFFAOYSA-N
Compound name
9-(2-chloro-4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1558 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16308 194.6
[M+Na]+ 424.14502 205.1
[M-H]- 400.14852 198.8
[M+NH4]+ 419.18962 211.2
[M+K]+ 440.11896 196.8
[M+H-H2O]+ 384.15306 185.6
[M+HCOO]- 446.15400 200.2
[M+CH3COO]- 460.16965 203.4
[M+Na-2H]- 422.13047 194.0
[M]+ 401.15525 192.2
[M]- 401.15635 192.2
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.