CID 9575528

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

Structural Information

Molecular Formula
C21H19N3O3S
SMILES
COC1=CC=C(C=C1)NS#CN/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)O
InChI
InChI=1S/C21H19N3O3S/c1-26-18-10-8-17(9-11-18)24-28-15-23-22-14-16-7-12-21(20(25)13-16)27-19-5-3-2-4-6-19/h2-14,23-25H,1H3/b22-14+
InChIKey
DSZUVLHPTLMYKI-HYARGMPZSA-N
Compound name
5-[(E)-[[(4-methoxyanilino)-lambda4-sulfanylidyne]methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.11472 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12200 200.5
[M+Na]+ 416.10394 208.9
[M-H]- 392.10744 206.7
[M+NH4]+ 411.14854 209.4
[M+K]+ 432.07788 200.7
[M+H-H2O]+ 376.11198 184.8
[M+HCOO]- 438.11292 216.0
[M+CH3COO]- 452.12857 226.7
[M+Na-2H]- 414.08939 202.3
[M]+ 393.11417 196.8
[M]- 393.11527 196.8
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.