CID 9569914

Nsc625223

Structural Information

Molecular Formula
C15H15N3OS
SMILES
C/C(=N\NC(=S)N)/C1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C15H15N3OS/c1-11(17-18-15(16)20)12-7-9-14(10-8-12)19-13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,20)/b17-11+
InChIKey
WHIVBHRWDXJLBI-GZTJUZNOSA-N
Compound name
[(E)-1-(4-phenoxyphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

285.0936 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10088 164.7
[M+Na]+ 308.08282 169.9
[M-H]- 284.08632 171.9
[M+NH4]+ 303.12742 180.0
[M+K]+ 324.05676 165.3
[M+H-H2O]+ 268.09086 156.1
[M+HCOO]- 330.09180 185.8
[M+CH3COO]- 344.10745 207.4
[M+Na-2H]- 306.06827 167.4
[M]+ 285.09305 164.0
[M]- 285.09415 164.0
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.