CID 55248

84384-94-1

Structural Information

Molecular Formula
C17H20N2O4S
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)S(=O)OCC2=CC=CC=N2
InChI
InChI=1S/C17H20N2O4S/c1-13(2)14-7-6-9-16(11-14)23-17(20)19(3)24(21)22-12-15-8-4-5-10-18-15/h4-11,13H,12H2,1-3H3
InChIKey
KOOFYRWINFBIHW-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-methyl-N-(pyridin-2-ylmethoxysulfinyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.11438 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12166 177.4
[M+Na]+ 371.10360 188.2
[M+NH4]+ 366.14820 183.5
[M+K]+ 387.07754 181.7
[M-H]- 347.10710 180.2
[M+Na-2H]- 369.08905 184.2
[M]+ 348.11383 180.0
[M]- 348.11493 180.0
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

patents stripe