CID 23634492

N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C23H29N3O3S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2N(C(=O)CS2)NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C23H29N3O3S/c1-22(2,3)16-10-15(11-17(19(16)28)23(4,5)6)21-26(18(27)13-30-21)25-20(29)14-8-7-9-24-12-14/h7-12,21,28H,13H2,1-6H3,(H,25,29)
InChIKey
DGZKTZCXSSQWKS-UHFFFAOYSA-N
Compound name
N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

427.19296 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20024 205.6
[M+Na]+ 450.18218 211.4
[M-H]- 426.18568 211.8
[M+NH4]+ 445.22678 214.6
[M+K]+ 466.15612 206.2
[M+H-H2O]+ 410.19022 197.6
[M+HCOO]- 472.19116 215.0
[M+CH3COO]- 486.20681 227.2
[M+Na-2H]- 448.16763 203.0
[M]+ 427.19241 207.1
[M]- 427.19351 207.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.