CID 2724433

61085-72-1

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3
InChIKey
QKRGHVDSVANHAD-UHFFFAOYSA-N
Compound name
methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

380.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 194.0
[M+Na]+ 403.199218 195.7
[M-H]- 379.202724 201.8
[M+NH4]+ 398.243823 205.2
[M+K]+ 419.173158 193.1
[M+H-H2O]+ 363.207260 183.0
[M+HCOO]- 425.208201 211.4
[M+CH3COO]- 439.223851 222.3
[M+Na-2H]- 401.184666 194.6
[M]+ 380.20945142 192.2
[M]- 380.21054858 192.2
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