CID 516435

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

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC(C)C1=CC2=C(C=C1)N(C(=CC2=O)C3=CC=CN3C)C
InChI
InChI=1S/C18H20N2O/c1-12(2)13-7-8-15-14(10-13)18(21)11-17(20(15)4)16-6-5-9-19(16)3/h5-12H,1-4H3
InChIKey
VTOYVUPIVVGEJM-UHFFFAOYSA-N
Compound name
1-methyl-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

280.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.9
[M+Na]+ 303.14678 177.7
[M-H]- 279.15028 172.4
[M+NH4]+ 298.19138 183.0
[M+K]+ 319.12072 172.2
[M+H-H2O]+ 263.15482 157.7
[M+HCOO]- 325.15576 187.6
[M+CH3COO]- 339.17141 178.9
[M+Na-2H]- 301.13223 168.2
[M]+ 280.15701 170.5
[M]- 280.15811 170.5
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.