CID 9567543

8-chloro-4-formylquinoline thiosemicarbazone

Structural Information

Molecular Formula
C11H9ClN4S
SMILES
C1=CC2=C(C=CN=C2C(=C1)Cl)/C=N/NC(=S)N
InChI
InChI=1S/C11H9ClN4S/c12-9-3-1-2-8-7(4-5-14-10(8)9)6-15-16-11(13)17/h1-6H,(H3,13,16,17)/b15-6+
InChIKey
QRMUFSMOMPPWPK-GIDUJCDVSA-N
Compound name
[(E)-(8-chloroquinolin-4-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

264.02365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03093 154.5
[M+Na]+ 287.01287 166.9
[M+NH4]+ 282.05747 163.3
[M+K]+ 302.98681 157.3
[M-H]- 263.01637 158.7
[M+Na-2H]- 284.99832 161.4
[M]+ 264.02310 158.0
[M]- 264.02420 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.