CID 3059813

77267-58-4

Structural Information

Molecular Formula
C23H29NO4S2
SMILES
CC1=C(C=CC(=C1)C(C)(C)C)SS(=O)N(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C
InChI
InChI=1S/C23H29NO4S2/c1-15-13-17(22(2,3)4)11-12-19(15)29-30(26)24(7)21(25)27-18-10-8-9-16-14-23(5,6)28-20(16)18/h8-13H,14H2,1-7H3
InChIKey
UIWUIVIRELSWSN-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-tert-butyl-2-methylphenyl)sulfanylsulfinyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

447.1538 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.16108 205.3
[M+Na]+ 470.14302 211.7
[M-H]- 446.14652 214.0
[M+NH4]+ 465.18762 219.3
[M+K]+ 486.11696 209.7
[M+H-H2O]+ 430.15106 199.8
[M+HCOO]- 492.15200 213.6
[M+CH3COO]- 506.16765 233.4
[M+Na-2H]- 468.12847 205.0
[M]+ 447.15325 214.6
[M]- 447.15435 214.6
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