CID 45792121

5-methyl-1-(2-nitrophenyl)-2,3-dihydro-1h-imidazol-2-one

Structural Information

Molecular Formula
C10H9N3O3
SMILES
CC1=CNC(=O)N1C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O3/c1-7-6-11-10(14)12(7)8-4-2-3-5-9(8)13(15)16/h2-6H,1H3,(H,11,14)
InChIKey
LLQAIWMRSMWDRS-UHFFFAOYSA-N
Compound name
4-methyl-3-(2-nitrophenyl)-1H-imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06439 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.071666 143.7
[M+Na]+ 242.053608 152.7
[M-H]- 218.057114 147.7
[M+NH4]+ 237.098213 159.8
[M+K]+ 258.027548 145.0
[M+H-H2O]+ 202.061650 140.6
[M+HCOO]- 264.062591 167.5
[M+CH3COO]- 278.078241 178.5
[M+Na-2H]- 240.039056 150.5
[M]+ 219.06384142 141.7
[M]- 219.06493858 141.7
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.