CID 135400889

[(z)-(5-hydroxy-1-isoquinolyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C11H10N4OS
SMILES
C1=CC2=C(C=CN=C2/C=N\NC(=S)N)C(=C1)O
InChI
InChI=1S/C11H10N4OS/c12-11(17)15-14-6-9-7-2-1-3-10(16)8(7)4-5-13-9/h1-6,16H,(H3,12,15,17)/b14-6-
InChIKey
YUMIFBHSJGNLSX-NSIKDUERSA-N
Compound name
[(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.05753 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06481 149.8
[M+Na]+ 269.04675 157.6
[M-H]- 245.05025 152.7
[M+NH4]+ 264.09135 166.4
[M+K]+ 285.02069 152.5
[M+H-H2O]+ 229.05479 142.5
[M+HCOO]- 291.05573 169.0
[M+CH3COO]- 305.07138 197.8
[M+Na-2H]- 267.03220 155.7
[M]+ 246.05698 148.9
[M]- 246.05808 148.9
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.