CID 516434

Schembl5866589

Structural Information

Molecular Formula
C18H19NO2
SMILES
CCN1C2=C(C=C(C=C2)C(C)C)C(=O)C=C1C3=CC=CO3
InChI
InChI=1S/C18H19NO2/c1-4-19-15-8-7-13(12(2)3)10-14(15)17(20)11-16(19)18-6-5-9-21-18/h5-12H,4H2,1-3H3
InChIKey
NIPKRQMXKKNIGR-UHFFFAOYSA-N
Compound name
1-ethyl-2-(furan-2-yl)-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

281.14157 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 165.1
[M+Na]+ 304.13079 176.1
[M-H]- 280.13429 173.3
[M+NH4]+ 299.17539 181.9
[M+K]+ 320.10473 172.4
[M+H-H2O]+ 264.13883 157.5
[M+HCOO]- 326.13977 187.5
[M+CH3COO]- 340.15542 178.5
[M+Na-2H]- 302.11624 168.8
[M]+ 281.14102 170.8
[M]- 281.14212 170.8
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

patents stripe