CID 40745

Sch 3801

Structural Information

Molecular Formula
C19H27NO4
SMILES
CCOC(=O)C(CN1CCCCC1)(C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C19H27NO4/c1-3-23-17(21)19(18(22)24-4-2,16-11-7-5-8-12-16)15-20-13-9-6-10-14-20/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3
InChIKey
LNPAHLGTMZENQF-UHFFFAOYSA-N
Compound name
diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 180.5
[M+Na]+ 356.18322 189.5
[M+NH4]+ 351.22782 186.0
[M+K]+ 372.15716 184.4
[M-H]- 332.18672 181.4
[M+Na-2H]- 354.16867 185.1
[M]+ 333.19345 181.7
[M]- 333.19455 181.7
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.