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]+ 355.168596 186.6
[M+Na]+ 377.150538 189.1
[M-H]- 353.154044 192.0
[M+NH4]+ 372.195143 200.4
[M+K]+ 393.124478 190.1
[M+H-H2O]+ 337.158580 178.2
[M+HCOO]- 399.159521 203.1
[M+CH3COO]- 413.175171 224.1
[M+Na-2H]- 375.135986 182.4
[M]+ 354.16077142 194.4
[M]- 354.16186858 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.