CID 6445734

40361-82-8

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CN1C(=CN=C1[N+](=O)[O-])/C=C/C2=CC=CC=C2
InChI
InChI=1S/C12H11N3O2/c1-14-11(9-13-12(14)15(16)17)8-7-10-5-3-2-4-6-10/h2-9H,1H3/b8-7+
InChIKey
WUKJZHIPZPZBLS-BQYQJAHWSA-N
Compound name
1-methyl-2-nitro-5-[(E)-2-phenylethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.08513 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 150.2
[M+Na]+ 252.074348 158.2
[M-H]- 228.077854 154.9
[M+NH4]+ 247.118953 166.5
[M+K]+ 268.048288 150.4
[M+H-H2O]+ 212.082390 146.4
[M+HCOO]- 274.083331 174.7
[M+CH3COO]- 288.098981 183.4
[M+Na-2H]- 250.059796 156.8
[M]+ 229.08458142 148.9
[M]- 229.08567858 148.9
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