CID 3050182

6-oxa-3-thia-2,4-diazaoctanoic acid, 2-methyl-4-(1-methylethyl)-5-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Structural Information

Molecular Formula
C18H26N2O5S
SMILES
CCOC(=O)N(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C18H26N2O5S/c1-7-23-17(22)20(12(2)3)26-19(6)16(21)24-14-10-8-9-13-11-18(4,5)25-15(13)14/h8-10,12H,7,11H2,1-6H3
InChIKey
RGESPEKXQQQQKK-UHFFFAOYSA-N
Compound name
ethyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.15625 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16353 189.5
[M+Na]+ 405.14547 195.4
[M+NH4]+ 400.19007 196.2
[M+K]+ 421.11941 191.1
[M-H]- 381.14897 191.2
[M+Na-2H]- 403.13092 191.6
[M]+ 382.15570 191.0
[M]- 382.15680 191.0
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.