CID 9578392

O-allyloxybenzaldehyde 3-thiosemicarbazone

Structural Information

Molecular Formula
C11H13N3OS
SMILES
C=CCOC1=CC=CC=C1/C=N/NC(=S)N
InChI
InChI=1S/C11H13N3OS/c1-2-7-15-10-6-4-3-5-9(10)8-13-14-11(12)16/h2-6,8H,1,7H2,(H3,12,14,16)/b13-8+
InChIKey
GSHZWJCRVYNISZ-MDWZMJQESA-N
Compound name
[(E)-(2-prop-2-enoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07793 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08521 153.1
[M+Na]+ 258.06715 161.9
[M+NH4]+ 253.11175 160.3
[M+K]+ 274.04109 153.8
[M-H]- 234.07065 156.1
[M+Na-2H]- 256.05260 158.3
[M]+ 235.07738 155.2
[M]- 235.07848 155.2
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.