CID 54677404

Dtxsid80680102

Structural Information

Molecular Formula
C15H11N3O3S
SMILES
C1CN2C3=C1C=CC=C3C(=C(C2=O)C(=O)NC4=NC=CS4)O
InChI
InChI=1S/C15H11N3O3S/c19-12-9-3-1-2-8-4-6-18(11(8)9)14(21)10(12)13(20)17-15-16-5-7-22-15/h1-3,5,7,19H,4,6H2,(H,16,17,20)
InChIKey
MISSHFNKBBWFCQ-UHFFFAOYSA-N
Compound name
9-hydroxy-11-oxo-N-(1,3-thiazol-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

313.05212 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05940 167.0
[M+Na]+ 336.04134 179.6
[M+NH4]+ 331.08594 174.8
[M+K]+ 352.01528 175.3
[M-H]- 312.04484 169.5
[M+Na-2H]- 334.02679 171.8
[M]+ 313.05157 169.8
[M]- 313.05267 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe