CID 5227640

198827-27-9

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=NC=C4)C(=O)C1)C
InChI
InChI=1S/C22H26N2O2/c1-21(2)9-14-19(16(25)11-21)18(13-5-7-23-8-6-13)20-15(24-14)10-22(3,4)12-17(20)26/h5-8,18,24H,9-12H2,1-4H3
InChIKey
MICSRMBZPCOSOE-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyl-9-pyridin-4-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

350.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.5
[M+Na]+ 373.18865 195.8
[M-H]- 349.19215 191.4
[M+NH4]+ 368.23325 203.3
[M+K]+ 389.16259 189.1
[M+H-H2O]+ 333.19669 177.3
[M+HCOO]- 395.19763 197.6
[M+CH3COO]- 409.21328 196.1
[M+Na-2H]- 371.17410 189.6
[M]+ 350.19888 183.1
[M]- 350.19998 183.1
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

patents stripe