CID 457489

2,2'-dithiobis(n-(2,2-dimethylhydroxyethyl)benzamide)

Structural Information

Molecular Formula
C22H28N2O4S2
SMILES
CC(C)(CO)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NC(C)(C)CO
InChI
InChI=1S/C22H28N2O4S2/c1-21(2,13-25)23-19(27)15-9-5-7-11-17(15)29-30-18-12-8-6-10-16(18)20(28)24-22(3,4)14-26/h5-12,25-26H,13-14H2,1-4H3,(H,23,27)(H,24,28)
InChIKey
MTWJMYYEMYEHPO-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-methylpropan-2-yl)-2-[[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.14905 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.15633 204.1
[M+Na]+ 471.13827 205.5
[M-H]- 447.14177 205.8
[M+NH4]+ 466.18287 211.0
[M+K]+ 487.11221 199.1
[M+H-H2O]+ 431.14631 195.8
[M+HCOO]- 493.14725 209.9
[M+CH3COO]- 507.16290 229.0
[M+Na-2H]- 469.12372 204.6
[M]+ 448.14850 206.0
[M]- 448.14960 206.0
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

No patent data available for this compound.