CID 201162

3369-13-9

Structural Information

Molecular Formula
C14H11N3O3S
SMILES
CS(=O)(=O)C1=CC=CC=C1C2=C(N3C=CC=CC3=N2)N=O
InChI
InChI=1S/C14H11N3O3S/c1-21(19,20)11-7-3-2-6-10(11)13-14(16-18)17-9-5-4-8-12(17)15-13/h2-9H,1H3
InChIKey
IARNIGYJSPMGOV-UHFFFAOYSA-N
Compound name
2-(2-methylsulfonylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05940 166.8
[M+Na]+ 324.04134 179.3
[M-H]- 300.04484 174.9
[M+NH4]+ 319.08594 183.3
[M+K]+ 340.01528 174.8
[M+H-H2O]+ 284.04938 159.0
[M+HCOO]- 346.05032 187.6
[M+CH3COO]- 360.06597 203.5
[M+Na-2H]- 322.02679 173.1
[M]+ 301.05157 174.2
[M]- 301.05267 174.2
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.