CID 379945

Nsc665137

Structural Information

Molecular Formula
C20H19NO4
SMILES
C1CC2=C(CC3=C(N2C4=CC=CC=C4C(=O)O)CCCC3=O)C(=O)C1
InChI
InChI=1S/C20H19NO4/c22-18-9-3-7-16-13(18)11-14-17(8-4-10-19(14)23)21(16)15-6-2-1-5-12(15)20(24)25/h1-2,5-6H,3-4,7-11H2,(H,24,25)
InChIKey
IIFLRCBSRQNUQS-UHFFFAOYSA-N
Compound name
2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.138676 177.1
[M+Na]+ 360.120618 182.6
[M-H]- 336.124124 181.7
[M+NH4]+ 355.165223 189.9
[M+K]+ 376.094558 177.4
[M+H-H2O]+ 320.128660 167.9
[M+HCOO]- 382.129601 188.7
[M+CH3COO]- 396.145251 185.7
[M+Na-2H]- 358.106066 178.2
[M]+ 337.13085142 171.9
[M]- 337.13194858 171.9
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.