CID 3008480

1-(2,5-diisopropyl-8-nitro-6-quinolyl)ethanone

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC(C)C1=NC2=C(C=C(C(=C2C=C1)C(C)C)C(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C17H20N2O3/c1-9(2)14-7-6-12-16(10(3)4)13(11(5)20)8-15(19(21)22)17(12)18-14/h6-10H,1-5H3
InChIKey
PGTURVZNEVXRCB-UHFFFAOYSA-N
Compound name
1-[8-nitro-2,5-di(propan-2-yl)quinolin-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 168.6
[M+Na]+ 323.13662 175.5
[M-H]- 299.14012 172.1
[M+NH4]+ 318.18122 183.0
[M+K]+ 339.11056 168.7
[M+H-H2O]+ 283.14466 166.0
[M+HCOO]- 345.14560 187.5
[M+CH3COO]- 359.16125 204.9
[M+Na-2H]- 321.12207 171.1
[M]+ 300.14685 169.8
[M]- 300.14795 169.8
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

No patent data available for this compound.