CID 6509842

Acetophenone, 5'-amino-2'-(octyloxy)-, thiosemicarbazone

Structural Information

Molecular Formula
C17H28N4OS
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)/C(=N\NC(=S)N)/C
InChI
InChI=1S/C17H28N4OS/c1-3-4-5-6-7-8-11-22-16-10-9-14(18)12-15(16)13(2)20-21-17(19)23/h9-10,12H,3-8,11,18H2,1-2H3,(H3,19,21,23)/b20-13-
InChIKey
MAGLAWWHGUHGCI-MOSHPQCFSA-N
Compound name
[(Z)-1-(5-amino-2-octoxyphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1984 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20568 183.2
[M+Na]+ 359.18762 189.1
[M+NH4]+ 354.23222 188.7
[M+K]+ 375.16156 181.4
[M-H]- 335.19112 185.9
[M+Na-2H]- 357.17307 185.8
[M]+ 336.19785 184.7
[M]- 336.19895 184.7
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.