CID 9567545

6-chloro-4-formylquinoline thiosemicarbazone

Structural Information

Molecular Formula
C11H9ClN4S
SMILES
C1=CC2=NC=CC(=C2C=C1Cl)/C=N/NC(=S)N
InChI
InChI=1S/C11H9ClN4S/c12-8-1-2-10-9(5-8)7(3-4-14-10)6-15-16-11(13)17/h1-6H,(H3,13,16,17)/b15-6+
InChIKey
PLQWLBBBVSNZCK-GIDUJCDVSA-N
Compound name
[(E)-(6-chloroquinolin-4-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 153.9
[M+Na]+ 287.01287 163.0
[M-H]- 263.01637 158.1
[M+NH4]+ 282.05747 171.5
[M+K]+ 302.98681 156.6
[M+H-H2O]+ 247.02091 147.4
[M+HCOO]- 309.02185 169.8
[M+CH3COO]- 323.03750 201.7
[M+Na-2H]- 284.99832 159.4
[M]+ 264.02310 155.5
[M]- 264.02420 155.5
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.