CID 24212570

853312-85-3

Structural Information

Molecular Formula
C24H28ClNO3
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=C(C(=CC=C4)OC)Cl)C(=O)C1)C
InChI
InChI=1S/C24H28ClNO3/c1-23(2)9-14-20(16(27)11-23)19(13-7-6-8-18(29-5)22(13)25)21-15(26-14)10-24(3,4)12-17(21)28/h6-8,19,26H,9-12H2,1-5H3
InChIKey
XVOMQDSBLWWKOC-UHFFFAOYSA-N
Compound name
9-(2-chloro-3-methoxyphenyl)-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

413.17578 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18306 198.2
[M+Na]+ 436.16500 207.9
[M-H]- 412.16850 203.6
[M+NH4]+ 431.20960 214.2
[M+K]+ 452.13894 200.7
[M+H-H2O]+ 396.17304 189.9
[M+HCOO]- 458.17398 204.6
[M+CH3COO]- 472.18963 207.0
[M+Na-2H]- 434.15045 198.1
[M]+ 413.17523 198.6
[M]- 413.17633 198.6
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.