CID 3033008

Brn 2017830

Structural Information

Molecular Formula
C20H25NO3S
SMILES
CC(C)C1=CC=CC=C1SN(C)C(=O)OC2=CC=CC=C2OC(C)C
InChI
InChI=1S/C20H25NO3S/c1-14(2)16-10-6-9-13-19(16)25-21(5)20(22)24-18-12-8-7-11-17(18)23-15(3)4/h6-15H,1-5H3
InChIKey
FIULYKVYMJVZIF-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-methyl-N-(2-propan-2-ylphenyl)sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15552 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.16280 184.7
[M+Na]+ 382.14474 195.9
[M+NH4]+ 377.18934 192.0
[M+K]+ 398.11868 188.2
[M-H]- 358.14824 189.0
[M+Na-2H]- 380.13019 191.5
[M]+ 359.15497 188.0
[M]- 359.15607 188.0
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.