CID 9578562

24051-00-1

Structural Information

Molecular Formula
C18H16N2O2S
SMILES
COC1=CC=CC(=C1OC)/C=N/C2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2S/c1-21-16-10-6-9-14(17(16)22-2)11-19-18-20-15(12-23-18)13-7-4-3-5-8-13/h3-12H,1-2H3/b19-11+
InChIKey
SFUMXYFEQLCKJK-YBFXNURJSA-N
Compound name
(E)-1-(2,3-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09326 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.100536 175.1
[M+Na]+ 347.082478 184.4
[M-H]- 323.085984 185.7
[M+NH4]+ 342.127083 190.8
[M+K]+ 363.056418 179.4
[M+H-H2O]+ 307.090520 166.0
[M+HCOO]- 369.091461 197.2
[M+CH3COO]- 383.107111 187.5
[M+Na-2H]- 345.067926 176.8
[M]+ 324.09271142 180.9
[M]- 324.09380858 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.