CID 53413

Brn 5164819

Structural Information

Molecular Formula
C21H30N2O6
SMILES
CC(C)OC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C21H30N2O6/c1-14(2)29-21(24)22-16-17(25-3)15-8-12-27-18(15)20(26-4)19(16)28-13-11-23-9-6-5-7-10-23/h8,12,14H,5-7,9-11,13H2,1-4H3,(H,22,24)
InChIKey
BHAHUPXHZMKMOJ-UHFFFAOYSA-N
Compound name
propan-2-yl N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.2104 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.21768 196.9
[M+Na]+ 429.19962 201.2
[M-H]- 405.20312 203.2
[M+NH4]+ 424.24422 207.3
[M+K]+ 445.17356 200.9
[M+H-H2O]+ 389.20766 187.9
[M+HCOO]- 451.20860 214.5
[M+CH3COO]- 465.22425 226.0
[M+Na-2H]- 427.18507 196.3
[M]+ 406.20985 203.5
[M]- 406.21095 203.5
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.