CID 3088385

3-(3,5-di-t-butyl-4-hydroxyphenyl)-7-oxo-6,7-dihydro-2h-imidazo(2,1-b)(1,3,4)thiadiazine hbr

Structural Information

Molecular Formula
C19H25N3O2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN3CC(=O)N=C3SC2
InChI
InChI=1S/C19H25N3O2S/c1-18(2,3)12-7-11(8-13(16(12)24)19(4,5)6)14-10-25-17-20-15(23)9-22(17)21-14/h7-8,24H,9-10H2,1-6H3
InChIKey
ZLTKJBYSYJNUPY-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,6-dihydroimidazo[2,1-b][1,3,4]thiadiazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

359.16675 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17403 191.0
[M+Na]+ 382.15597 200.0
[M-H]- 358.15947 194.1
[M+NH4]+ 377.20057 203.5
[M+K]+ 398.12991 194.8
[M+H-H2O]+ 342.16401 184.2
[M+HCOO]- 404.16495 198.5
[M+CH3COO]- 418.18060 213.2
[M+Na-2H]- 380.14142 190.4
[M]+ 359.16620 193.7
[M]- 359.16730 193.7
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

patents stripe