CID 45054612

2-(allyloxy)benzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C17H17N3OS
SMILES
C=CCOC1=CC=CC=C1/C=N/NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C17H17N3OS/c1-2-12-21-16-11-7-6-8-14(16)13-18-20-17(22)19-15-9-4-3-5-10-15/h2-11,13H,1,12H2,(H2,19,20,22)/b18-13+
InChIKey
IOFCBKRQQUSIKM-QGOAFFKASA-N
Compound name
1-phenyl-3-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.10922 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11650 172.9
[M+Na]+ 334.09844 183.9
[M+NH4]+ 329.14304 180.6
[M+K]+ 350.07238 173.7
[M-H]- 310.10194 178.8
[M+Na-2H]- 332.08389 181.5
[M]+ 311.10867 176.4
[M]- 311.10977 176.4
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.