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

29
Patents

220.0484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 141.9
[M+Na]+ 243.03762 150.7
[M-H]- 219.04112 145.7
[M+NH4]+ 238.08222 159.5
[M+K]+ 259.01156 144.3
[M+H-H2O]+ 203.04566 140.0
[M+HCOO]- 265.04660 163.6
[M+CH3COO]- 279.06225 183.3
[M+Na-2H]- 241.02307 149.6
[M]+ 220.04785 140.4
[M]- 220.04895 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