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 183.0
[M+Na]+ 364.17056 189.0
[M-H]- 340.17406 188.4
[M+NH4]+ 359.21516 196.7
[M+K]+ 380.14450 183.3
[M+H-H2O]+ 324.17860 176.1
[M+HCOO]- 386.17954 195.7
[M+CH3COO]- 400.19519 213.4
[M+Na-2H]- 362.15601 183.4
[M]+ 341.18079 184.3
[M]- 341.18189 184.3
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.