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 208.9
[M-H]- 386.15437 200.6
[M+NH4]+ 405.19547 208.5
[M+K]+ 426.12481 202.7
[M+H-H2O]+ 370.15891 190.7
[M+HCOO]- 432.15985 207.4
[M+CH3COO]- 446.17550 216.3
[M+Na-2H]- 408.13632 198.2
[M]+ 387.16110 204.5
[M]- 387.16220 204.5
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