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]+ 338.13868 177.1
[M+Na]+ 360.12062 182.6
[M-H]- 336.12412 181.7
[M+NH4]+ 355.16522 189.9
[M+K]+ 376.09456 177.4
[M+H-H2O]+ 320.12866 167.9
[M+HCOO]- 382.12960 188.7
[M+CH3COO]- 396.14525 185.7
[M+Na-2H]- 358.10607 178.2
[M]+ 337.13085 171.9
[M]- 337.13195 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.