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]+ 220.07167 143.7
[M+Na]+ 242.05361 152.7
[M-H]- 218.05711 147.7
[M+NH4]+ 237.09821 159.8
[M+K]+ 258.02755 145.0
[M+H-H2O]+ 202.06165 140.6
[M+HCOO]- 264.06259 167.5
[M+CH3COO]- 278.07824 178.5
[M+Na-2H]- 240.03906 150.5
[M]+ 219.06384 141.7
[M]- 219.06494 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.