CID 708278

300772-87-6

Structural Information

Molecular Formula
C18H21NO6
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OC(=O)N3CCOCC3)C(=O)OC(C)C
InChI
InChI=1S/C18H21NO6/c1-11(2)23-17(20)16-12(3)24-15-5-4-13(10-14(15)16)25-18(21)19-6-8-22-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKey
BRZMNSYUJASXJZ-UHFFFAOYSA-N
Compound name
(2-methyl-3-propan-2-yloxycarbonyl-1-benzofuran-5-yl) morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

347.1369 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.144176 179.5
[M+Na]+ 370.126118 185.8
[M-H]- 346.129624 187.1
[M+NH4]+ 365.170723 191.2
[M+K]+ 386.100058 186.7
[M+H-H2O]+ 330.134160 171.9
[M+HCOO]- 392.135101 195.5
[M+CH3COO]- 406.150751 210.7
[M+Na-2H]- 368.111566 180.0
[M]+ 347.13635142 184.7
[M]- 347.13744858 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.