CID 395668

Nsc700450

Structural Information

Molecular Formula
C18H11N3O3S
SMILES
C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H11N3O3S/c22-18-16-10-13(12-4-2-1-3-5-12)11-19-17(16)25-20(18)14-6-8-15(9-7-14)21(23)24/h1-11H
InChIKey
GQIRUGALFFPBHU-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-5-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.05212 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05940 178.1
[M+Na]+ 372.04134 188.0
[M-H]- 348.04484 187.7
[M+NH4]+ 367.08594 190.6
[M+K]+ 388.01528 177.4
[M+H-H2O]+ 332.04938 173.1
[M+HCOO]- 394.05032 197.9
[M+CH3COO]- 408.06597 203.9
[M+Na-2H]- 370.02679 184.0
[M]+ 349.05157 180.3
[M]- 349.05267 180.3
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.