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: 5
Patents: 350.19943 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	351.206706	187.5
[M+Na]+	373.188648	195.8
[M-H]-	349.192154	191.4
[M+NH4]+	368.233253	203.3
[M+K]+	389.162588	189.1
[M+H-H2O]+	333.196690	177.3
[M+HCOO]-	395.197631	197.6
[M+CH3COO]-	409.213281	196.1
[M+Na-2H]-	371.174096	189.6
[M]+	350.19888142	183.1
[M]-	350.19997858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe