CID 9575520

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

Structural Information

Molecular Formula
C17H19N3O2S
SMILES
CCCNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C17H19N3O2S/c1-2-10-20-23-13-19-18-12-14-8-9-17(16(21)11-14)22-15-6-4-3-5-7-15/h3-9,11-12,19-21H,2,10H2,1H3/b18-12+
InChIKey
NDQHQHFWNBPYQM-LDADJPATSA-N
Compound name
2-phenoxy-5-[(E)-[(propylamino-lambda4-sulfanylidyne)methylhydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.1198 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12708 182.3
[M+Na]+ 352.10902 190.2
[M-H]- 328.11252 186.3
[M+NH4]+ 347.15362 194.1
[M+K]+ 368.08296 183.5
[M+H-H2O]+ 312.11706 167.8
[M+HCOO]- 374.11800 197.8
[M+CH3COO]- 388.13365 216.6
[M+Na-2H]- 350.09447 184.3
[M]+ 329.11925 178.4
[M]- 329.12035 178.4
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.