CID 459619

Methyl 6-phenyl-[1,3]dioxolo[4,5-g]quinoline-8-carboxylate

Structural Information

Molecular Formula
C18H13NO4
SMILES
COC(=O)C1=CC(=NC2=CC3=C(C=C12)OCO3)C4=CC=CC=C4
InChI
InChI=1S/C18H13NO4/c1-21-18(20)13-7-14(11-5-3-2-4-6-11)19-15-9-17-16(8-12(13)15)22-10-23-17/h2-9H,10H2,1H3
InChIKey
HNGNHGUEZDCALW-UHFFFAOYSA-N
Compound name
methyl 6-phenyl-[1,3]dioxolo[4,5-g]quinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08447 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09175 168.1
[M+Na]+ 330.07369 177.4
[M-H]- 306.07719 177.1
[M+NH4]+ 325.11829 182.5
[M+K]+ 346.04763 175.7
[M+H-H2O]+ 290.08173 160.1
[M+HCOO]- 352.08267 186.7
[M+CH3COO]- 366.09832 180.4
[M+Na-2H]- 328.05914 174.0
[M]+ 307.08392 172.5
[M]- 307.08502 172.5
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.