CID 982995

Cbmicro_002532

Structural Information

Molecular Formula

C₂₄H₂₇NO₄

SMILES

CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC5=C(C=C4)OCO5)C(=O)C1)C

InChI

InChI=1S/C24H27NO4/c1-23(2)8-14-21(16(26)10-23)20(13-5-6-18-19(7-13)29-12-28-18)22-15(25-14)9-24(3,4)11-17(22)27/h5-7,20,25H,8-12H2,1-4H3

InChIKey

YUDCYZDTZSCVSS-UHFFFAOYSA-N

Compound name

9-(1,3-benzodioxol-5-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: 5
References: 0
Patents: 393.194 Da
Monoisotopic Mass: 3.8
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]+	394.201276	195.0
[M+Na]+	416.183218	203.6
[M-H]-	392.186724	202.4
[M+NH4]+	411.227823	210.5
[M+K]+	432.157158	199.4
[M+H-H2O]+	376.191260	186.3
[M+HCOO]-	438.192201	203.0
[M+CH3COO]-	452.207851	204.0
[M+Na-2H]-	414.168666	195.5
[M]+	393.19345142	193.4
[M]-	393.19454858	193.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.