CID 24212870

853333-73-0

Structural Information

Molecular Formula
C22H25BrN2O2
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=C(C=NC=C4)Br)C(=O)C1)C
InChI
InChI=1S/C22H25BrN2O2/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
JRTIXCSWNXFRJE-UHFFFAOYSA-N
Compound name
9-(3-bromopyridin-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

428.10995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.11723 196.2
[M+Na]+ 451.09917 200.4
[M+NH4]+ 446.14377 202.6
[M+K]+ 467.07311 195.2
[M-H]- 427.10267 198.1
[M+Na-2H]- 449.08462 198.9
[M]+ 428.10940 196.5
[M]- 428.11050 196.5
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.