CID 212293

Brn 1158776

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
COC1=CC(=CC(=C1OC)OC)CNC2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3S/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/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKey
QCXRCNJZQOUKCJ-UHFFFAOYSA-N
Compound name
4-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11948 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12676 183.8
[M+Na]+ 379.10870 197.6
[M+NH4]+ 374.15330 191.7
[M+K]+ 395.08264 189.5
[M-H]- 355.11220 190.0
[M+Na-2H]- 377.09415 192.7
[M]+ 356.11893 188.0
[M]- 356.12003 188.0
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.