CID 9567549

Quinoline-6-carboxaldehyde, thiosemicarbazone

Structural Information

Molecular Formula
C11H10N4S
SMILES
C1=CC2=C(C=CC(=C2)/C=N/NC(=S)N)N=C1
InChI
InChI=1S/C11H10N4S/c12-11(16)15-14-7-8-3-4-10-9(6-8)2-1-5-13-10/h1-7H,(H3,12,15,16)/b14-7+
InChIKey
PPPXDGCBKXKTIO-VGOFMYFVSA-N
Compound name
[(E)-quinolin-6-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.06262 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.069896 146.1
[M+Na]+ 253.051838 153.8
[M-H]- 229.055344 150.2
[M+NH4]+ 248.096443 163.9
[M+K]+ 269.025778 149.0
[M+H-H2O]+ 213.059880 138.5
[M+HCOO]- 275.060821 166.7
[M+CH3COO]- 289.076471 196.8
[M+Na-2H]- 251.037286 153.0
[M]+ 230.06207142 145.3
[M]- 230.06316858 145.3
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

No patent data available for this compound.