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 180.1
[M+Na]+ 371.10360 184.9
[M-H]- 347.10710 186.5
[M+NH4]+ 366.14820 192.1
[M+K]+ 387.07754 183.2
[M+H-H2O]+ 331.11164 170.8
[M+HCOO]- 393.11258 196.7
[M+CH3COO]- 407.12823 214.6
[M+Na-2H]- 369.08905 180.1
[M]+ 348.11383 186.1
[M]- 348.11493 186.1
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