CID 3088655

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

Structural Information

Molecular Formula
C22H29N3O2S
SMILES
CCCC1=NN2C(=CSC2=NC1=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C22H29N3O2S/c1-8-9-16-19(27)23-20-25(24-16)17(12-28-20)13-10-14(21(2,3)4)18(26)15(11-13)22(5,6)7/h10-12,26H,8-9H2,1-7H3
InChIKey
RTIPTMOGPUZXBX-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-6-propyl-[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

399.19806 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20534 202.7
[M+Na]+ 422.18728 214.0
[M-H]- 398.19078 206.8
[M+NH4]+ 417.23188 214.0
[M+K]+ 438.16122 207.5
[M+H-H2O]+ 382.19532 195.2
[M+HCOO]- 444.19626 213.2
[M+CH3COO]- 458.21191 222.2
[M+Na-2H]- 420.17273 202.5
[M]+ 399.19751 210.7
[M]- 399.19861 210.7
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.