CID 47456

Brn 2296013

Structural Information

Molecular Formula
C15H24N2O3S
SMILES
CCN(CC)SN(C)C(=O)OC1=CC=CC=C1OC(C)C
InChI
InChI=1S/C15H24N2O3S/c1-6-17(7-2)21-16(5)15(18)20-14-11-9-8-10-13(14)19-12(3)4/h8-12H,6-7H2,1-5H3
InChIKey
RTSJPYIBJKXKIE-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-(diethylaminosulfanyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15076 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15804 173.8
[M+Na]+ 335.13998 181.8
[M+NH4]+ 330.18458 180.4
[M+K]+ 351.11392 175.6
[M-H]- 311.14348 175.9
[M+Na-2H]- 333.12543 177.8
[M]+ 312.15021 175.7
[M]- 312.15131 175.7
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.