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

literature stripe

Patent stripe

patents stripe