CID 9575529

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

Structural Information

Molecular Formula
C22H21N3O3S
SMILES
CCOC1=CC=C(C=C1)NS#CN/N=C/C2=CC(=C(C=C2)OC3=CC=CC=C3)O
InChI
InChI=1S/C22H21N3O3S/c1-2-27-19-11-9-18(10-12-19)25-29-16-24-23-15-17-8-13-22(21(26)14-17)28-20-6-4-3-5-7-20/h3-15,24-26H,2H2,1H3/b23-15+
InChIKey
MZBNRAKXSIKCFQ-HZHRSRAPSA-N
Compound name
5-[(E)-[[(4-ethoxyanilino)-lambda4-sulfanylidyne]methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.13037 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13765 204.0
[M+Na]+ 430.11959 211.9
[M-H]- 406.12309 210.0
[M+NH4]+ 425.16419 212.3
[M+K]+ 446.09353 203.6
[M+H-H2O]+ 390.12763 188.1
[M+HCOO]- 452.12857 219.2
[M+CH3COO]- 466.14422 229.3
[M+Na-2H]- 428.10504 205.3
[M]+ 407.12982 200.6
[M]- 407.13092 200.6
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.