CID 159492

Hwa 131

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC3=NC(=O)C=NN23
InChI
InChI=1S/C19H23N3O2S/c1-18(2,3)12-7-11(8-13(16(12)24)19(4,5)6)14-10-25-17-21-15(23)9-20-22(14)17/h7-10,24H,1-6H3
InChIKey
CRZGAOZTOAGGTQ-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

357.1511 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 189.7
[M+Na]+ 380.14032 201.7
[M-H]- 356.14382 194.0
[M+NH4]+ 375.18492 202.6
[M+K]+ 396.11426 195.7
[M+H-H2O]+ 340.14836 182.6
[M+HCOO]- 402.14930 201.3
[M+CH3COO]- 416.16495 212.2
[M+Na-2H]- 378.12577 191.5
[M]+ 357.15055 196.4
[M]- 357.15165 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe