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 192.4
[M+Na]+ 391.17922 205.7
[M+NH4]+ 386.22382 202.2
[M+K]+ 407.15316 193.8
[M-H]- 367.18272 194.7
[M+Na-2H]- 389.16467 198.0
[M]+ 368.18945 195.2
[M]- 368.19055 195.2
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.