CID 18936387

Schembl8535939

Structural Information

Molecular Formula
C18H27NO3S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)NCS2=O
InChI
InChI=1S/C18H27NO3S/c1-17(2,3)12-7-11(8-13(15(12)20)18(4,5)6)9-14-16(21)19-10-23(14)22/h7-8,14,20H,9-10H2,1-6H3,(H,19,21)
InChIKey
GFFXGNKATQVCIR-UHFFFAOYSA-N
Compound name
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-oxo-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

337.17117 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17845 181.7
[M+Na]+ 360.16039 189.2
[M-H]- 336.16389 185.0
[M+NH4]+ 355.20499 196.1
[M+K]+ 376.13433 184.2
[M+H-H2O]+ 320.16843 176.6
[M+HCOO]- 382.16937 191.1
[M+CH3COO]- 396.18502 206.1
[M+Na-2H]- 358.14584 178.9
[M]+ 337.17062 183.2
[M]- 337.17172 183.2
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.