CID 656346

8-(2-ethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6(5h)-one

Structural Information

Molecular Formula
C18H17NO4
SMILES
CCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCO4
InChI
InChI=1S/C18H17NO4/c1-2-21-15-6-4-3-5-11(15)12-8-18(20)19-14-9-17-16(7-13(12)14)22-10-23-17/h3-7,9,12H,2,8,10H2,1H3,(H,19,20)
InChIKey
YKSYGLXHLSPWLB-UHFFFAOYSA-N
Compound name
8-(2-ethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

35
Patents

311.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 170.1
[M+Na]+ 334.10497 178.0
[M-H]- 310.10847 177.1
[M+NH4]+ 329.14957 183.8
[M+K]+ 350.07891 175.2
[M+H-H2O]+ 294.11301 162.3
[M+HCOO]- 356.11395 185.2
[M+CH3COO]- 370.12960 181.1
[M+Na-2H]- 332.09042 174.1
[M]+ 311.11520 171.0
[M]- 311.11630 171.0
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.