CID 188931

Pd-200390

Structural Information

Molecular Formula
C25H36N2O2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)N(C)CCC2=CC=CC=N2
InChI
InChI=1S/C25H36N2O2S/c1-24(2,3)20-16-19(17-21(23(20)29)25(4,5)6)30-15-12-22(28)27(7)14-11-18-10-8-9-13-26-18/h8-10,13,16-17,29H,11-12,14-15H2,1-7H3
InChIKey
YPPRSIHNTQEZCJ-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

428.24976 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25704 210.3
[M+Na]+ 451.23898 220.6
[M+NH4]+ 446.28358 215.9
[M+K]+ 467.21292 212.6
[M-H]- 427.24248 212.8
[M+Na-2H]- 449.22443 215.5
[M]+ 428.24921 213.0
[M]- 428.25031 213.0
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

patents stripe