CID 165948912

Benzyl 4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1h-inden-2-yl)methyl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C25H29NO5
SMILES
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)C(=O)OCC4=CC=CC=C4)OC
InChI
InChI=1S/C25H29NO5/c1-29-22-14-19-13-20(24(27)21(19)15-23(22)30-2)12-17-8-10-26(11-9-17)25(28)31-16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
InChIKey
ZTDAXJODCBSRMU-UHFFFAOYSA-N
Compound name
benzyl 4-[(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.20456 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.21184 203.4
[M+Na]+ 446.19378 207.5
[M-H]- 422.19728 211.6
[M+NH4]+ 441.23838 214.2
[M+K]+ 462.16772 203.5
[M+H-H2O]+ 406.20182 193.2
[M+HCOO]- 468.20276 218.8
[M+CH3COO]- 482.21841 226.7
[M+Na-2H]- 444.17923 199.8
[M]+ 423.20401 204.5
[M]- 423.20511 204.5
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.