CID 966500

136203-54-8

Structural Information

Molecular Formula
C23H26BrNO2
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Br)C(=O)C1)C
InChI
InChI=1S/C23H26BrNO2/c1-22(2)9-15-20(17(26)11-22)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27/h5-8,19,25H,9-12H2,1-4H3
InChIKey
IQQGVXGHPFVZJJ-UHFFFAOYSA-N
Compound name
9-(4-bromophenyl)-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

4
Patents

427.1147 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12198 195.8
[M+Na]+ 450.10392 206.5
[M-H]- 426.10742 203.4
[M+NH4]+ 445.14852 213.8
[M+K]+ 466.07786 193.1
[M+H-H2O]+ 410.11196 193.9
[M+HCOO]- 472.11290 205.0
[M+CH3COO]- 486.12855 206.2
[M+Na-2H]- 448.08937 197.7
[M]+ 427.11415 210.7
[M]- 427.11525 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe