CID 13157293

Brn 5750719

Structural Information

Molecular Formula
C16H17NO3
SMILES
CC1=C2C=C(OC2=C3C=C(C=CC3=N1)OC)C(C)OC
InChI
InChI=1S/C16H17NO3/c1-9-12-8-15(10(2)18-3)20-16(12)13-7-11(19-4)5-6-14(13)17-9/h5-8,10H,1-4H3
InChIKey
ZZZAHSNYEZLBIV-UHFFFAOYSA-N
Compound name
8-methoxy-2-(1-methoxyethyl)-4-methylfuro[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 161.2
[M+Na]+ 294.11007 172.6
[M-H]- 270.11357 167.3
[M+NH4]+ 289.15467 179.7
[M+K]+ 310.08401 170.5
[M+H-H2O]+ 254.11811 154.5
[M+HCOO]- 316.11905 182.6
[M+CH3COO]- 330.13470 201.4
[M+Na-2H]- 292.09552 166.8
[M]+ 271.12030 169.7
[M]- 271.12140 169.7
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.