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

24
Patents

380.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 194.0
[M+Na]+ 403.19922 195.7
[M-H]- 379.20272 201.8
[M+NH4]+ 398.24382 205.2
[M+K]+ 419.17316 193.1
[M+H-H2O]+ 363.20726 183.0
[M+HCOO]- 425.20820 211.4
[M+CH3COO]- 439.22385 222.3
[M+Na-2H]- 401.18467 194.6
[M]+ 380.20945 192.2
[M]- 380.21055 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