CID 9567541

4-formyl-8-nitroquinoline thiosemicarbazone

Structural Information

Molecular Formula
C11H9N5O2S
SMILES
C1=CC2=C(C=CN=C2C(=C1)[N+](=O)[O-])/C=N/NC(=S)N
InChI
InChI=1S/C11H9N5O2S/c12-11(19)15-14-6-7-4-5-13-10-8(7)2-1-3-9(10)16(17)18/h1-6H,(H3,12,15,19)/b14-6+
InChIKey
PJEWRVLTOGIDIY-MKMNVTDBSA-N
Compound name
[(E)-(8-nitroquinolin-4-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0477 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05498 151.8
[M+Na]+ 298.03692 157.8
[M-H]- 274.04042 155.7
[M+NH4]+ 293.08152 166.4
[M+K]+ 314.01086 149.3
[M+H-H2O]+ 258.04496 148.1
[M+HCOO]- 320.04590 173.0
[M+CH3COO]- 334.06155 198.9
[M+Na-2H]- 296.02237 160.0
[M]+ 275.04715 149.3
[M]- 275.04825 149.3
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.