CID 24212687

853317-87-0

Structural Information

Molecular Formula
C24H22N2O5
SMILES
COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)C(=O)OC
InChI
InChI=1S/C24H22N2O5/c1-30-23(28)14-11-15(24(29)31-2)13-16(12-14)25-22(27)21-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)21/h3,5,7,9,11-13H,4,6,8,10H2,1-2H3,(H,25,27)
InChIKey
AJGZJUVSNYKBOM-UHFFFAOYSA-N
Compound name
dimethyl 5-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15286 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16014 197.7
[M+Na]+ 441.14208 210.2
[M+NH4]+ 436.18668 203.6
[M+K]+ 457.11602 203.8
[M-H]- 417.14558 201.3
[M+Na-2H]- 439.12753 202.8
[M]+ 418.15231 200.2
[M]- 418.15341 200.2
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.