CID 978797

61085-74-3

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OCC
InChI
InChI=1S/C24H30N2O3/c1-3-22(27)26(21-13-9-6-10-14-21)24(23(28)29-4-2)15-17-25(18-16-24)19-20-11-7-5-8-12-20/h5-14H,3-4,15-19H2,1-2H3
InChIKey
QOYROTCVRDQKJR-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

394.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 198.3
[M+Na]+ 417.21487 199.6
[M-H]- 393.21837 205.9
[M+NH4]+ 412.25947 209.0
[M+K]+ 433.18881 196.8
[M+H-H2O]+ 377.22291 187.2
[M+HCOO]- 439.22385 215.4
[M+CH3COO]- 453.23950 225.2
[M+Na-2H]- 415.20032 198.4
[M]+ 394.22510 196.9
[M]- 394.22620 196.9
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