CID 3072109

Brn 4885016

Structural Information

Molecular Formula
C19H17N3O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2C(=CS3)C4=CC=CC=C4
InChI
InChI=1S/C19H17N3O3S/c1-23-15-9-13(10-16(24-2)17(15)25-3)18-20-21-19-22(18)14(11-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey
TYSDIYQRWOBPSY-UHFFFAOYSA-N
Compound name
5-phenyl-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.09906 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10634 185.1
[M+Na]+ 390.08828 201.1
[M+NH4]+ 385.13288 192.9
[M+K]+ 406.06222 194.9
[M-H]- 366.09178 190.1
[M+Na-2H]- 388.07373 193.4
[M]+ 367.09851 189.4
[M]- 367.09961 189.4
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.