CID 3072095

Brn 4883880

Structural Information

Molecular Formula
C19H17N3O3S
SMILES
COC1=CC(=C(C=C1C2=NN3C(=CSC3=N2)C4=CC=CC=C4)OC)OC
InChI
InChI=1S/C19H17N3O3S/c1-23-15-10-17(25-3)16(24-2)9-13(15)18-20-19-22(21-18)14(11-26-19)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey
QYZKAQNOVUXSQH-UHFFFAOYSA-N
Compound name
6-phenyl-2-(2,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.09906 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10634 185.1
[M+Na]+ 390.08828 197.9
[M-H]- 366.09178 194.5
[M+NH4]+ 385.13288 199.4
[M+K]+ 406.06222 192.9
[M+H-H2O]+ 350.09632 176.8
[M+HCOO]- 412.09726 204.0
[M+CH3COO]- 426.11291 197.4
[M+Na-2H]- 388.07373 184.7
[M]+ 367.09851 195.4
[M]- 367.09961 195.4
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.