CID 516433

2-(2-furyl)-6-isopropyl-1-methyl-quinolin-4-one

Structural Information

Molecular Formula
C17H17NO2
SMILES
CC(C)C1=CC2=C(C=C1)N(C(=CC2=O)C3=CC=CO3)C
InChI
InChI=1S/C17H17NO2/c1-11(2)12-6-7-14-13(9-12)16(19)10-15(18(14)3)17-5-4-8-20-17/h4-11H,1-3H3
InChIKey
FQHGORYTUFGRLF-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-1-methyl-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 160.2
[M+Na]+ 290.11514 171.7
[M-H]- 266.11864 168.6
[M+NH4]+ 285.15974 177.6
[M+K]+ 306.08908 168.2
[M+H-H2O]+ 250.12318 152.9
[M+HCOO]- 312.12412 183.0
[M+CH3COO]- 326.13977 174.1
[M+Na-2H]- 288.10059 164.5
[M]+ 267.12537 165.6
[M]- 267.12647 165.6
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.