CID 3088378

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-6,7-dihydro-2h-imidazo(2,1-b)(1,3,4)thiadiazine hcl

Structural Information

Molecular Formula
C19H27N3OS
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN3CCN=C3SC2
InChI
InChI=1S/C19H27N3OS/c1-18(2,3)13-9-12(10-14(16(13)23)19(4,5)6)15-11-24-17-20-7-8-22(17)21-15/h9-10,23H,7-8,11H2,1-6H3
InChIKey
NHJFYKKHOFAFKD-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

345.18747 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19475 188.2
[M+Na]+ 368.17669 196.4
[M-H]- 344.18019 190.8
[M+NH4]+ 363.22129 201.2
[M+K]+ 384.15063 191.0
[M+H-H2O]+ 328.18473 181.0
[M+HCOO]- 390.18567 195.4
[M+CH3COO]- 404.20132 210.6
[M+Na-2H]- 366.16214 187.9
[M]+ 345.18692 189.8
[M]- 345.18802 189.8
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