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 186.6
[M+Na]+ 377.15054 189.1
[M-H]- 353.15404 192.0
[M+NH4]+ 372.19514 200.4
[M+K]+ 393.12448 190.1
[M+H-H2O]+ 337.15858 178.2
[M+HCOO]- 399.15952 203.1
[M+CH3COO]- 413.17517 224.1
[M+Na-2H]- 375.13599 182.4
[M]+ 354.16077 194.4
[M]- 354.16187 194.4
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.