CID 9578542

Brn 1223545

Structural Information

Molecular Formula
C19H18N2O3S
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/C2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3S/c1-22-16-9-13(10-17(23-2)18(16)24-3)11-20-19-21-15(12-25-19)14-7-5-4-6-8-14/h4-12H,1-3H3/b20-11+
InChIKey
GWIZOKPEHRPQPH-RGVLZGJSSA-N
Compound name
(E)-N-(4-phenyl-1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.10382 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11110 182.9
[M+Na]+ 377.09304 192.3
[M-H]- 353.09654 193.7
[M+NH4]+ 372.13764 197.5
[M+K]+ 393.06698 187.7
[M+H-H2O]+ 337.10108 173.7
[M+HCOO]- 399.10202 204.8
[M+CH3COO]- 413.11767 215.6
[M+Na-2H]- 375.07849 183.6
[M]+ 354.10327 190.9
[M]- 354.10437 190.9
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.