CID 9575494

Benzaldehyde, 3-methoxy-4-phenoxy-, [(amino-l4-sulfanylidyne)methyl]hydrazone

Structural Information

Molecular Formula
C15H15N3O2S
SMILES
COC1=C(C=CC(=C1)/C=N/NC#SN)OC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O2S/c1-19-15-9-12(10-17-18-11-21-16)7-8-14(15)20-13-5-3-2-4-6-13/h2-10,18H,16H2,1H3/b17-10+
InChIKey
XOIOGDQVPIDENX-LICLKQGHSA-N
Compound name
1-(amino-lambda4-sulfanylidyne)-N-[(E)-(3-methoxy-4-phenoxyphenyl)methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.0885 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09578 174.7
[M+Na]+ 324.07772 183.8
[M-H]- 300.08122 179.9
[M+NH4]+ 319.12232 187.9
[M+K]+ 340.05166 177.9
[M+H-H2O]+ 284.08576 160.3
[M+HCOO]- 346.08670 191.6
[M+CH3COO]- 360.10235 213.5
[M+Na-2H]- 322.06317 177.0
[M]+ 301.08795 171.1
[M]- 301.08905 171.1
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.