CID 516436

1-ethyl-6-isopropyl-2-(1-methylpyrrol-2-yl)quinolin-4-one

Structural Information

Molecular Formula
C19H22N2O
SMILES
CCN1C2=C(C=C(C=C2)C(C)C)C(=O)C=C1C3=CC=CN3C
InChI
InChI=1S/C19H22N2O/c1-5-21-16-9-8-14(13(2)3)11-15(16)19(22)12-18(21)17-7-6-10-20(17)4/h6-13H,5H2,1-4H3
InChIKey
QFLVKXRKCHNCON-UHFFFAOYSA-N
Compound name
1-ethyl-2-(1-methylpyrrol-2-yl)-6-propan-2-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 170.7
[M+Na]+ 317.16244 182.0
[M-H]- 293.16594 176.9
[M+NH4]+ 312.20704 187.1
[M+K]+ 333.13638 176.2
[M+H-H2O]+ 277.17048 162.2
[M+HCOO]- 339.17142 192.0
[M+CH3COO]- 353.18707 207.5
[M+Na-2H]- 315.14789 172.4
[M]+ 294.17267 175.5
[M]- 294.17377 175.5
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.