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]+ 312.123026 170.1
[M+Na]+ 334.104968 178.0
[M-H]- 310.108474 177.1
[M+NH4]+ 329.149573 183.8
[M+K]+ 350.078908 175.2
[M+H-H2O]+ 294.113010 162.3
[M+HCOO]- 356.113951 185.2
[M+CH3COO]- 370.129601 181.1
[M+Na-2H]- 332.090416 174.1
[M]+ 311.11520142 171.0
[M]- 311.11629858 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

literature stripe

Patent stripe

patents stripe