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]+ 268.133196 160.2
[M+Na]+ 290.115138 171.7
[M-H]- 266.118644 168.6
[M+NH4]+ 285.159743 177.6
[M+K]+ 306.089078 168.2
[M+H-H2O]+ 250.123180 152.9
[M+HCOO]- 312.124121 183.0
[M+CH3COO]- 326.139771 174.1
[M+Na-2H]- 288.100586 164.5
[M]+ 267.12537142 165.6
[M]- 267.12646858 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.