CID 9575517

5-[(e)-[(methylamino-$l^{4}-sulfanylidyne)methylhydrazono]methyl]-2-phenoxy-phenol

Structural Information

Molecular Formula
C15H15N3O2S
SMILES
CNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C15H15N3O2S/c1-16-21-11-18-17-10-12-7-8-15(14(19)9-12)20-13-5-3-2-4-6-13/h2-10,16,18-19H,1H3/b17-10+
InChIKey
OFEFZYJBXVMZBS-LICLKQGHSA-N
Compound name
5-[(E)-[(methylamino-lambda4-sulfanylidyne)methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.0885 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09578 175.1
[M+Na]+ 324.07772 183.9
[M-H]- 300.08122 179.5
[M+NH4]+ 319.12232 188.0
[M+K]+ 340.05166 177.5
[M+H-H2O]+ 284.08576 161.0
[M+HCOO]- 346.08670 191.3
[M+CH3COO]- 360.10235 211.3
[M+Na-2H]- 322.06317 177.9
[M]+ 301.08795 170.6
[M]- 301.08905 170.6
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

No patent data available for this compound.