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]+ 348.14418 179.5
[M+Na]+ 370.12612 185.8
[M-H]- 346.12962 187.1
[M+NH4]+ 365.17072 191.2
[M+K]+ 386.10006 186.7
[M+H-H2O]+ 330.13416 171.9
[M+HCOO]- 392.13510 195.5
[M+CH3COO]- 406.15075 210.7
[M+Na-2H]- 368.11157 180.0
[M]+ 347.13635 184.7
[M]- 347.13745 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.