CID 376365

3,3,6,6-tetramethyl-9-(4-nitrophenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C
InChI
InChI=1S/C23H26N2O4/c1-22(2)9-15-20(17(26)11-22)19(13-5-7-14(8-6-13)25(28)29)21-16(24-15)10-23(3,4)12-18(21)27/h5-8,19,24H,9-12H2,1-4H3
InChIKey
VXTIMMAQPHHBAG-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyl-9-(4-nitrophenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

394.18927 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.196546 193.7
[M+Na]+ 417.178488 199.9
[M-H]- 393.181994 198.7
[M+NH4]+ 412.223093 207.9
[M+K]+ 433.152428 190.3
[M+H-H2O]+ 377.186530 189.0
[M+HCOO]- 439.187471 205.5
[M+CH3COO]- 453.203121 218.0
[M+Na-2H]- 415.163936 197.3
[M]+ 394.18872142 188.5
[M]- 394.18981858 188.5
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