CID 4110110

1-methyl-3-nitro-1,2,3,4-tetrahydroquinoline-2,4-dione

Structural Information

Molecular Formula
C10H8N2O4
SMILES
CN1C2=CC=CC=C2C(=O)C(C1=O)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O4/c1-11-7-5-3-2-4-6(7)9(13)8(10(11)14)12(15)16/h2-5,8H,1H3
InChIKey
UNWGBPXMJLXDOR-UHFFFAOYSA-N
Compound name
1-methyl-3-nitroquinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

220.0484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 141.9
[M+Na]+ 243.037618 150.7
[M-H]- 219.041124 145.7
[M+NH4]+ 238.082223 159.5
[M+K]+ 259.011558 144.3
[M+H-H2O]+ 203.045660 140.0
[M+HCOO]- 265.046601 163.6
[M+CH3COO]- 279.062251 183.3
[M+Na-2H]- 241.023066 149.6
[M]+ 220.04785142 140.4
[M]- 220.04894858 140.4
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

patents stripe