CID 9575516

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

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=N/NC#SN)O
InChI
InChI=1S/C14H13N3O2S/c15-20-10-17-16-9-11-6-7-14(13(18)8-11)19-12-4-2-1-3-5-12/h1-9,17-18H,15H2/b16-9+
InChIKey
BEEXAIWWJGEPSP-CXUHLZMHSA-N
Compound name
5-[(E)-[(amino-lambda4-sulfanylidyne)methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.07285 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 171.7
[M+Na]+ 310.06207 180.8
[M-H]- 286.06557 175.8
[M+NH4]+ 305.10667 184.7
[M+K]+ 326.03601 174.3
[M+H-H2O]+ 270.07011 157.8
[M+HCOO]- 332.07105 187.5
[M+CH3COO]- 346.08670 208.7
[M+Na-2H]- 308.04752 174.0
[M]+ 287.07230 166.1
[M]- 287.07340 166.1
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.