CID 3072097

Brn 4885929

Structural Information

Molecular Formula
C20H19N3O3S
SMILES
CC1=CC=C(C=C1)C2=CSC3=NC(=NN23)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C20H19N3O3S/c1-12-5-7-13(8-6-12)15-11-27-20-21-19(22-23(15)20)14-9-16(24-2)18(26-4)17(10-14)25-3/h5-11H,1-4H3
InChIKey
MNLHYAHBBSARTJ-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.11472 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12200 190.3
[M+Na]+ 404.10394 206.4
[M+NH4]+ 399.14854 197.9
[M+K]+ 420.07788 200.2
[M-H]- 380.10744 195.3
[M+Na-2H]- 402.08939 198.0
[M]+ 381.11417 194.7
[M]- 381.11527 194.7
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.