CID 3037018

Ci 986

Structural Information

Molecular Formula
C16H22N2OS2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NNC(=S)S2
InChI
InChI=1S/C16H22N2OS2/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)
InChIKey
MYNMGQGXYYHMEX-UHFFFAOYSA-N
Compound name
5-(3,5-ditert-butyl-4-hydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

21
Patents

322.11737 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12465 175.7
[M+Na]+ 345.10659 185.7
[M-H]- 321.11009 178.1
[M+NH4]+ 340.15119 189.9
[M+K]+ 361.08053 178.4
[M+H-H2O]+ 305.11463 170.2
[M+HCOO]- 367.11557 181.6
[M+CH3COO]- 381.13122 201.8
[M+Na-2H]- 343.09204 173.6
[M]+ 322.11682 178.0
[M]- 322.11792 178.0
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.