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]+ 302.095776 174.7
[M+Na]+ 324.077718 183.8
[M-H]- 300.081224 179.9
[M+NH4]+ 319.122323 187.9
[M+K]+ 340.051658 177.9
[M+H-H2O]+ 284.085760 160.3
[M+HCOO]- 346.086701 191.6
[M+CH3COO]- 360.102351 213.5
[M+Na-2H]- 322.063166 177.0
[M]+ 301.08795142 171.1
[M]- 301.08904858 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.