CID 3088383

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-methyl-2h-s-triazolo(3,4-b)(1,3,4)thiadiazine

Structural Information

Molecular Formula
C19H26N4OS
SMILES
CC1C(=NN2C=NN=C2S1)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C19H26N4OS/c1-11-15(22-23-10-20-21-17(23)25-11)12-8-13(18(2,3)4)16(24)14(9-12)19(5,6)7/h8-11,24H,1-7H3
InChIKey
ANOBJAPSGSWTFL-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18274 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19002 192.9
[M+Na]+ 381.17196 202.9
[M-H]- 357.17546 195.1
[M+NH4]+ 376.21656 204.3
[M+K]+ 397.14590 197.1
[M+H-H2O]+ 341.18000 185.4
[M+HCOO]- 403.18094 200.1
[M+CH3COO]- 417.19659 214.3
[M+Na-2H]- 379.15741 192.6
[M]+ 358.18219 196.7
[M]- 358.18329 196.7
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.