CID 2751475

853-98-5

Structural Information

Molecular Formula
C21H27NOS
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)NC2=CC=CC=C2
InChI
InChI=1S/C21H27NOS/c1-20(2,3)16-12-14(13-17(18(16)23)21(4,5)6)19(24)22-15-10-8-7-9-11-15/h7-13,23H,1-6H3,(H,22,24)
InChIKey
UMCHDGKQBRCVFB-UHFFFAOYSA-N
Compound name
3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18134 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18862 187.3
[M+Na]+ 364.17056 199.0
[M+NH4]+ 359.21516 194.8
[M+K]+ 380.14450 190.6
[M-H]- 340.17406 191.0
[M+Na-2H]- 362.15601 193.9
[M]+ 341.18079 190.7
[M]- 341.18189 190.7
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.