CID 438523

Nsc642943

Structural Information

Molecular Formula
C20H17NO3
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)OC)C3=C1CC4=CC=CC=C43
InChI
InChI=1S/C20H17NO3/c1-3-24-20(22)19-16-10-12-6-4-5-7-14(12)18(16)15-11-13(23-2)8-9-17(15)21-19/h4-9,11H,3,10H2,1-2H3
InChIKey
QVGVPRHPKGQJCM-UHFFFAOYSA-N
Compound name
ethyl 2-methoxy-7H-indeno[2,1-c]quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 175.0
[M+Na]+ 342.11007 184.7
[M-H]- 318.11357 180.5
[M+NH4]+ 337.15467 193.1
[M+K]+ 358.08401 179.7
[M+H-H2O]+ 302.11811 167.0
[M+HCOO]- 364.11905 194.1
[M+CH3COO]- 378.13470 186.7
[M+Na-2H]- 340.09552 179.5
[M]+ 319.12030 180.4
[M]- 319.12140 180.4
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.