CID 4418406

Nsc639641

Structural Information

Molecular Formula
C10H9N3O3
SMILES
CNC1=C(C2=C(C=C1)NC(=O)C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O3/c1-11-8-4-3-7-6(10(8)13(15)16)2-5-9(14)12-7/h2-5,11H,1H3,(H,12,14)
InChIKey
XMLYDBARYULOLL-UHFFFAOYSA-N
Compound name
6-(methylamino)-5-nitro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06439 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 140.7
[M+Na]+ 242.05361 149.1
[M-H]- 218.05711 143.4
[M+NH4]+ 237.09821 157.3
[M+K]+ 258.02755 141.4
[M+H-H2O]+ 202.06165 138.5
[M+HCOO]- 264.06259 164.5
[M+CH3COO]- 278.07824 182.5
[M+Na-2H]- 240.03906 151.0
[M]+ 219.06384 138.4
[M]- 219.06494 138.4
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.