CID 13157283

Brn 5754490

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC1=NC2=CC=CC=C2C3=C1C=C(O3)C(C)OCCC(C)C
InChI
InChI=1S/C19H23NO2/c1-12(2)9-10-21-14(4)18-11-16-13(3)20-17-8-6-5-7-15(17)19(16)22-18/h5-8,11-12,14H,9-10H2,1-4H3
InChIKey
QYZPVGGEIBTJFM-UHFFFAOYSA-N
Compound name
4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 173.1
[M+Na]+ 320.162098 182.0
[M-H]- 296.165604 178.2
[M+NH4]+ 315.206703 190.1
[M+K]+ 336.136038 179.0
[M+H-H2O]+ 280.170140 165.7
[M+HCOO]- 342.171081 192.2
[M+CH3COO]- 356.186731 207.9
[M+Na-2H]- 318.147546 176.3
[M]+ 297.17233142 180.0
[M]- 297.17342858 180.0
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.