CID 379941

Nsc665133

Structural Information

Molecular Formula
C23H21NO2
SMILES
C1CC2=C(CC3=C(N2C4=CC=CC5=CC=CC=C54)CCCC3=O)C(=O)C1
InChI
InChI=1S/C23H21NO2/c25-22-12-4-10-20-17(22)14-18-21(11-5-13-23(18)26)24(20)19-9-3-7-15-6-1-2-8-16(15)19/h1-3,6-9H,4-5,10-14H2
InChIKey
TWONXSIBWQBOKZ-UHFFFAOYSA-N
Compound name
10-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16451 181.3
[M+Na]+ 366.14645 187.3
[M-H]- 342.14995 187.6
[M+NH4]+ 361.19105 195.3
[M+K]+ 382.12039 180.1
[M+H-H2O]+ 326.15449 170.2
[M+HCOO]- 388.15543 193.3
[M+CH3COO]- 402.17108 189.9
[M+Na-2H]- 364.13190 184.5
[M]+ 343.15668 175.5
[M]- 343.15778 175.5
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.