CID 3050185

Brn 2182928

Structural Information

Molecular Formula
C18H28N2O5S
SMILES
CCCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC=C1OC(C)C
InChI
InChI=1S/C18H28N2O5S/c1-6-7-10-13-23-17(21)19(4)26-20(5)18(22)25-16-12-9-8-11-15(16)24-14(2)3/h8-9,11-12,14H,6-7,10,13H2,1-5H3
InChIKey
XOQOGBQBKLBGJE-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-methyl-N-[methyl(pentoxycarbonyl)amino]sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1719 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17918 194.2
[M+Na]+ 407.16112 196.3
[M-H]- 383.16462 199.3
[M+NH4]+ 402.20572 206.7
[M+K]+ 423.13506 197.1
[M+H-H2O]+ 367.16916 185.1
[M+HCOO]- 429.17010 211.6
[M+CH3COO]- 443.18575 228.1
[M+Na-2H]- 405.14657 190.8
[M]+ 384.17135 204.3
[M]- 384.17245 204.3
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.