CID 24212519

853310-95-9

Structural Information

Molecular Formula
C27H28FNO2S
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC(=CS4)C5=CC=C(C=C5)F)C(=O)C1)C
InChI
InChI=1S/C27H28FNO2S/c1-26(2)10-18-23(20(30)12-26)25(24-19(29-18)11-27(3,4)13-21(24)31)22-9-16(14-32-22)15-5-7-17(28)8-6-15/h5-9,14,25,29H,10-13H2,1-4H3
InChIKey
SPXJYNTZSMMERY-UHFFFAOYSA-N
Compound name
9-[4-(4-fluorophenyl)thiophen-2-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

449.18246 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.18974 207.8
[M+Na]+ 472.17168 216.9
[M-H]- 448.17518 214.8
[M+NH4]+ 467.21628 223.4
[M+K]+ 488.14562 208.5
[M+H-H2O]+ 432.17972 198.4
[M+HCOO]- 494.18066 214.0
[M+CH3COO]- 508.19631 215.7
[M+Na-2H]- 470.15713 204.0
[M]+ 449.18191 205.8
[M]- 449.18301 205.8
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.