CID 3088652

7h-thiazolo(3,2-b)(1,2,4)triazin-7-one, 3-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)-

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CC1=CC(=CC(=C1O)C(C)(C)C)C2=CSC3=NC(=O)C=NN23
InChI
InChI=1S/C16H17N3O2S/c1-9-5-10(6-11(14(9)21)16(2,3)4)12-8-22-15-18-13(20)7-17-19(12)15/h5-8,21H,1-4H3
InChIKey
QZFJTISVGGBBGA-UHFFFAOYSA-N
Compound name
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

315.10416 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.111436 174.9
[M+Na]+ 338.093378 188.1
[M-H]- 314.096884 179.5
[M+NH4]+ 333.137983 189.5
[M+K]+ 354.067318 182.0
[M+H-H2O]+ 298.101420 167.8
[M+HCOO]- 360.102361 189.3
[M+CH3COO]- 374.118011 186.8
[M+Na-2H]- 336.078826 177.1
[M]+ 315.10361142 181.4
[M]- 315.10470858 181.4
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

patents stripe