CID 312109

2-imidazoline, 2-(p-nitrophenacylthio)-

Structural Information

Molecular Formula
C11H11N3O3S
SMILES
C1CN=C(N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H11N3O3S/c15-10(7-18-11-12-5-6-13-11)8-1-3-9(4-2-8)14(16)17/h1-4H,5-7H2,(H,12,13)
InChIKey
SFYBVYGDWXFMAJ-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05212 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05940 153.8
[M+Na]+ 288.04134 164.7
[M+NH4]+ 283.08594 160.5
[M+K]+ 304.01528 162.2
[M-H]- 264.04484 156.2
[M+Na-2H]- 286.02679 159.1
[M]+ 265.05157 156.0
[M]- 265.05267 156.0
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.