CID 9575522

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

Structural Information

Molecular Formula
C20H25N3O2S
SMILES
CCCCCCNS#CN/N=C/C1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C20H25N3O2S/c1-2-3-4-8-13-23-26-16-22-21-15-17-11-12-20(19(24)14-17)25-18-9-6-5-7-10-18/h5-7,9-12,14-15,22-24H,2-4,8,13H2,1H3/b21-15+
InChIKey
GAGYPNOMOPJEPE-RCCKNPSSSA-N
Compound name
5-[(E)-[[(hexylamino)-lambda4-sulfanylidyne]methylhydrazinylidene]methyl]-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.16675 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17403 192.9
[M+Na]+ 394.15597 199.6
[M-H]- 370.15947 196.4
[M+NH4]+ 389.20057 203.1
[M+K]+ 410.12991 192.3
[M+H-H2O]+ 354.16401 177.9
[M+HCOO]- 416.16495 207.6
[M+CH3COO]- 430.18060 224.6
[M+Na-2H]- 392.14142 193.7
[M]+ 371.16620 189.9
[M]- 371.16730 189.9
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.