CID 135429893

Nsc338651

Structural Information

Molecular Formula
C11H9ClN4O2S
SMILES
C1=CC2=C(C=C1Cl)C(=C(C(=O)N2)/C=N/NC(=S)N)O
InChI
InChI=1S/C11H9ClN4O2S/c12-5-1-2-8-6(3-5)9(17)7(10(18)15-8)4-14-16-11(13)19/h1-4H,(H3,13,16,19)(H2,15,17,18)/b14-4+
InChIKey
WTSGGODUWSNKIN-LNKIKWGQSA-N
Compound name
[(E)-(6-chloro-4-hydroxy-2-oxo-1H-quinolin-3-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0135 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02078 160.1
[M+Na]+ 319.00272 169.8
[M-H]- 295.00622 162.3
[M+NH4]+ 314.04732 175.3
[M+K]+ 334.97666 162.5
[M+H-H2O]+ 279.01076 154.5
[M+HCOO]- 341.01170 173.5
[M+CH3COO]- 355.02735 203.4
[M+Na-2H]- 316.98817 163.8
[M]+ 296.01295 161.0
[M]- 296.01405 161.0
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.