CID 9575526

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

Structural Information

Molecular Formula
C21H19N3O2S
SMILES
CC1=CC=C(C=C1)NS#CN/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)O
InChI
InChI=1S/C21H19N3O2S/c1-16-7-10-18(11-8-16)24-27-15-23-22-14-17-9-12-21(20(25)13-17)26-19-5-3-2-4-6-19/h2-14,23-25H,1H3/b22-14+
InChIKey
CNHKJIBIWVFWSE-HYARGMPZSA-N
Compound name
5-[(E)-[[(4-methylanilino)-lambda4-sulfanylidyne]methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.1198 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12708 198.3
[M+Na]+ 400.10902 207.1
[M-H]- 376.11252 204.6
[M+NH4]+ 395.15362 208.0
[M+K]+ 416.08296 198.2
[M+H-H2O]+ 360.11706 182.9
[M+HCOO]- 422.11800 213.7
[M+CH3COO]- 436.13365 205.6
[M+Na-2H]- 398.09447 199.9
[M]+ 377.11925 193.5
[M]- 377.12035 193.5
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.