CID 3088654

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

Structural Information

Molecular Formula
C20H25N3O2S
SMILES
CC1=NN2C(=CSC2=NC1=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C20H25N3O2S/c1-11-17(25)21-18-23(22-11)15(10-26-18)12-8-13(19(2,3)4)16(24)14(9-12)20(5,6)7/h8-10,24H,1-7H3
InChIKey
WMQKSCGGRNJZHM-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.16675 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17403 194.0
[M+Na]+ 394.15597 206.3
[M-H]- 370.15947 198.5
[M+NH4]+ 389.20057 206.5
[M+K]+ 410.12991 200.1
[M+H-H2O]+ 354.16401 187.0
[M+HCOO]- 416.16495 205.2
[M+CH3COO]- 430.18060 216.4
[M+Na-2H]- 392.14142 194.7
[M]+ 371.16620 201.4
[M]- 371.16730 201.4
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.