CID 9575523

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

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
C1=CC=C(C=C1)NS#CN/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)O
InChI
InChI=1S/C20H17N3O2S/c24-19-13-16(11-12-20(19)25-18-9-5-2-6-10-18)14-21-22-15-26-23-17-7-3-1-4-8-17/h1-14,22-24H/b21-14+
InChIKey
PIRDFBQIVNNRAE-KGENOOAVSA-N
Compound name
5-[(E)-[(anilino-lambda4-sulfanylidyne)methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.10416 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 193.7
[M+Na]+ 386.09338 202.2
[M-H]- 362.09688 199.8
[M+NH4]+ 381.13798 203.7
[M+K]+ 402.06732 193.3
[M+H-H2O]+ 346.10142 178.4
[M+HCOO]- 408.10236 209.5
[M+CH3COO]- 422.11801 201.2
[M+Na-2H]- 384.07883 196.4
[M]+ 363.10361 188.3
[M]- 363.10471 188.3
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.