CID 767348

1-ethyl-6-nitroquinolin-2(1h)-one

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCN1C2=C(C=CC1=O)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O3/c1-2-12-10-5-4-9(13(15)16)7-8(10)3-6-11(12)14/h3-7H,2H2,1H3
InChIKey
MQDFWIDPJVANIL-UHFFFAOYSA-N
Compound name
1-ethyl-6-nitroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

218.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 142.9
[M+Na]+ 241.058358 152.3
[M-H]- 217.061864 146.9
[M+NH4]+ 236.102963 160.7
[M+K]+ 257.032298 145.3
[M+H-H2O]+ 201.066400 140.6
[M+HCOO]- 263.067341 166.9
[M+CH3COO]- 277.082991 183.4
[M+Na-2H]- 239.043806 152.4
[M]+ 218.06859142 143.5
[M]- 218.06968858 143.5
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

patents stripe