CID 9567542

[(e)-(6-methoxy-4-quinolyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C12H12N4OS
SMILES
COC1=CC2=C(C=CN=C2C=C1)/C=N/NC(=S)N
InChI
InChI=1S/C12H12N4OS/c1-17-9-2-3-11-10(6-9)8(4-5-14-11)7-15-16-12(13)18/h2-7H,1H3,(H3,13,16,18)/b15-7+
InChIKey
KYZUCJYNEAFDNY-VIZOYTHASA-N
Compound name
[(E)-(6-methoxyquinolin-4-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07318 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08046 154.5
[M+Na]+ 283.06240 162.3
[M-H]- 259.06590 158.6
[M+NH4]+ 278.10700 171.2
[M+K]+ 299.03634 157.8
[M+H-H2O]+ 243.07044 146.6
[M+HCOO]- 305.07138 174.8
[M+CH3COO]- 319.08703 203.2
[M+Na-2H]- 281.04785 160.2
[M]+ 260.07263 155.7
[M]- 260.07373 155.7
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.