CID 9575521

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

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CCCCNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C18H21N3O2S/c1-2-3-11-21-24-14-20-19-13-15-9-10-18(17(22)12-15)23-16-7-5-4-6-8-16/h4-10,12-13,20-22H,2-3,11H2,1H3/b19-13+
InChIKey
AVMYBGAJHIFPOQ-CPNJWEJPSA-N
Compound name
5-[(E)-[(butylamino-lambda4-sulfanylidyne)methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.13544 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14272 185.8
[M+Na]+ 366.12466 193.4
[M-H]- 342.12816 189.7
[M+NH4]+ 361.16926 197.1
[M+K]+ 382.09860 186.4
[M+H-H2O]+ 326.13270 171.2
[M+HCOO]- 388.13364 201.1
[M+CH3COO]- 402.14929 219.3
[M+Na-2H]- 364.11011 187.4
[M]+ 343.13489 182.2
[M]- 343.13599 182.2
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.