CID 3050189

Brn 2169614

Structural Information

Molecular Formula
C17H26N2O4S
SMILES
CCN(C(=O)OC(C)C)SN(C)C(=O)OC1=CC=CC(=C1)C(C)C
InChI
InChI=1S/C17H26N2O4S/c1-7-19(17(21)22-13(4)5)24-18(6)16(20)23-15-10-8-9-14(11-15)12(2)3/h8-13H,7H2,1-6H3
InChIKey
YNDFKYUFHCEOEU-UHFFFAOYSA-N
Compound name
propan-2-yl N-ethyl-N-[methyl-(3-propan-2-ylphenoxy)carbonylamino]sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.16132 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16860 183.6
[M+Na]+ 377.15054 190.1
[M+NH4]+ 372.19514 188.7
[M+K]+ 393.12448 185.6
[M-H]- 353.15404 184.4
[M+Na-2H]- 375.13599 186.1
[M]+ 354.16077 184.8
[M]- 354.16187 184.8
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.