CID 3064473

N-(11-oxo-11h-indeno(1,2-b)quinolin-10-yl)glycine ethyl ester monohydrochloride

Structural Information

Molecular Formula
C20H16N2O3
SMILES
CCOC(=O)CNC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4C2=O
InChI
InChI=1S/C20H16N2O3/c1-2-25-16(23)11-21-18-14-9-5-6-10-15(14)22-19-12-7-3-4-8-13(12)20(24)17(18)19/h3-10H,2,11H2,1H3,(H,21,22)
InChIKey
QJBZUSOHVPESPF-UHFFFAOYSA-N
Compound name
ethyl 2-[(11-oxoindeno[1,2-b]quinolin-10-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1161 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 176.1
[M+Na]+ 355.10532 185.1
[M-H]- 331.10882 181.5
[M+NH4]+ 350.14992 193.2
[M+K]+ 371.07926 179.7
[M+H-H2O]+ 315.11336 167.9
[M+HCOO]- 377.11430 196.5
[M+CH3COO]- 391.12995 187.3
[M+Na-2H]- 353.09077 181.5
[M]+ 332.11555 180.2
[M]- 332.11665 180.2
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.