CID 6509842

[(z)-1-(5-amino-2-octoxyphenyl)ethylideneamino]thiourea

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 182.3
[M+Na]+ 359.18762 185.0
[M-H]- 335.19112 185.0
[M+NH4]+ 354.23222 195.4
[M+K]+ 375.16156 180.3
[M+H-H2O]+ 319.19566 173.3
[M+HCOO]- 381.19660 201.2
[M+CH3COO]- 395.21225 223.6
[M+Na-2H]- 357.17307 179.9
[M]+ 336.19785 183.2
[M]- 336.19895 183.2
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.