CID 3088653

7h-thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-6-(hydroxymethyl)-

Structural Information

Molecular Formula
C20H25N3O3S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC3=NC(=O)C(=NN23)CO
InChI
InChI=1S/C20H25N3O3S/c1-19(2,3)12-7-11(8-13(16(12)25)20(4,5)6)15-10-27-18-21-17(26)14(9-24)22-23(15)18/h7-8,10,24-25H,9H2,1-6H3
InChIKey
DTAYVCHIHVQEHO-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-6-(hydroxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

387.16165 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16893 197.5
[M+Na]+ 410.15087 210.7
[M+NH4]+ 405.19547 202.8
[M+K]+ 426.12481 205.5
[M-H]- 386.15437 198.1
[M+Na-2H]- 408.13632 201.7
[M]+ 387.16110 200.2
[M]- 387.16220 200.2
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

patents stripe