CID 13157282

Brn 5753426

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCCCOC(C)C1=CC2=C(O1)C3=CC=CC=C3N=C2C
InChI
InChI=1S/C18H21NO2/c1-4-5-10-20-13(3)17-11-15-12(2)19-16-9-7-6-8-14(16)18(15)21-17/h6-9,11,13H,4-5,10H2,1-3H3
InChIKey
NZCPWWWETUMEQM-UHFFFAOYSA-N
Compound name
2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.9
[M+Na]+ 306.146448 177.6
[M-H]- 282.149954 173.1
[M+NH4]+ 301.191053 185.6
[M+K]+ 322.120388 174.4
[M+H-H2O]+ 266.154490 160.6
[M+HCOO]- 328.155431 188.4
[M+CH3COO]- 342.171081 204.0
[M+Na-2H]- 304.131896 172.9
[M]+ 283.15668142 175.1
[M]- 283.15777858 175.1
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.