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 181.4
[M+Na]+ 356.18322 182.9
[M-H]- 332.18672 184.6
[M+NH4]+ 351.22782 192.7
[M+K]+ 372.15716 181.0
[M+H-H2O]+ 316.19126 172.4
[M+HCOO]- 378.19220 196.1
[M+CH3COO]- 392.20785 207.9
[M+Na-2H]- 354.16867 182.6
[M]+ 333.19345 180.9
[M]- 333.19455 180.9
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

patents stripe