CID 3008492

1-(2-isopropyl-5-methoxy-8-nitro-6-quinolyl)ethanone

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CC(C)C1=NC2=C(C=C(C(=C2C=C1)OC)C(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C15H16N2O4/c1-8(2)12-6-5-10-14(16-12)13(17(19)20)7-11(9(3)18)15(10)21-4/h5-8H,1-4H3
InChIKey
FKOFJFXOJBXHMG-UHFFFAOYSA-N
Compound name
1-(5-methoxy-8-nitro-2-propan-2-ylquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.111 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 163.3
[M+Na]+ 311.10022 171.0
[M-H]- 287.10372 167.1
[M+NH4]+ 306.14482 178.2
[M+K]+ 327.07416 164.8
[M+H-H2O]+ 271.10826 160.6
[M+HCOO]- 333.10920 184.0
[M+CH3COO]- 347.12485 200.2
[M+Na-2H]- 309.08567 168.0
[M]+ 288.11045 165.8
[M]- 288.11155 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.