CID 3059809

77267-46-0

Structural Information

Molecular Formula
C22H29NO4S2
SMILES
CC1=C(C=CC(=C1)C(C)(C)C)SS(=O)N(C)C(=O)OC2=CC=CC=C2OC(C)C
InChI
InChI=1S/C22H29NO4S2/c1-15(2)26-18-10-8-9-11-19(18)27-21(24)23(7)29(25)28-20-13-12-17(14-16(20)3)22(4,5)6/h8-15H,1-7H3
InChIKey
HAITZNKEWLQLEW-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-(4-tert-butyl-2-methylphenyl)sulfanylsulfinyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

435.1538 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16108 202.0
[M+Na]+ 458.14302 205.9
[M-H]- 434.14652 208.8
[M+NH4]+ 453.18762 212.4
[M+K]+ 474.11696 202.6
[M+H-H2O]+ 418.15106 193.4
[M+HCOO]- 480.15200 210.7
[M+CH3COO]- 494.16765 232.5
[M+Na-2H]- 456.12847 198.7
[M]+ 435.15325 210.1
[M]- 435.15435 210.1
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