CID 13157296

Brn 5757694

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCCCCOC(C)C1=CC2=C(N=C3C=CC(=CC3=C2O1)OC)C
InChI
InChI=1S/C20H25NO3/c1-5-6-7-10-23-14(3)19-12-16-13(2)21-18-9-8-15(22-4)11-17(18)20(16)24-19/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKey
KQQMQNWXTZVXMA-UHFFFAOYSA-N
Compound name
8-methoxy-4-methyl-2-(1-pentoxyethyl)furo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 180.8
[M+Na]+ 350.172658 190.2
[M-H]- 326.176164 185.9
[M+NH4]+ 345.217263 196.8
[M+K]+ 366.146598 187.2
[M+H-H2O]+ 310.180700 173.1
[M+HCOO]- 372.181641 200.6
[M+CH3COO]- 386.197291 213.2
[M+Na-2H]- 348.158106 183.9
[M]+ 327.18289142 190.4
[M]- 327.18398858 190.4
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.