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 197.6
[M+Na]+ 441.14208 202.0
[M-H]- 417.14558 203.6
[M+NH4]+ 436.18668 207.0
[M+K]+ 457.11602 198.5
[M+H-H2O]+ 401.15012 186.9
[M+HCOO]- 463.15106 212.8
[M+CH3COO]- 477.16671 229.7
[M+Na-2H]- 439.12753 199.4
[M]+ 418.15231 198.6
[M]- 418.15341 198.6
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.