CID 24208921

853311-89-4

Structural Information

Molecular Formula
C22H25FN2O2
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=C(C=NC=C4)F)C(=O)C1)C
InChI
InChI=1S/C22H25FN2O2/c1-21(2)7-14-19(16(26)9-21)18(12-5-6-24-11-13(12)23)20-15(25-14)8-22(3,4)10-17(20)27/h5-6,11,18,25H,7-10H2,1-4H3
InChIKey
WVJYDKPSPJHLMX-UHFFFAOYSA-N
Compound name
9-(3-fluoropyridin-4-yl)-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

368.19 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19728 191.0
[M+Na]+ 391.17922 200.3
[M-H]- 367.18272 193.9
[M+NH4]+ 386.22382 206.3
[M+K]+ 407.15316 193.2
[M+H-H2O]+ 351.18726 180.1
[M+HCOO]- 413.18820 200.0
[M+CH3COO]- 427.20385 199.3
[M+Na-2H]- 389.16467 191.8
[M]+ 368.18945 186.1
[M]- 368.19055 186.1
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.