CID 3044673

57612-06-3

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C24H32N2O2/c1-2-3-18-28-23(27)24(25-19-21-10-6-4-7-11-21)14-16-26(17-15-24)20-22-12-8-5-9-13-22/h4-13,25H,2-3,14-20H2,1H3
InChIKey
NLRNYERRBQRISV-UHFFFAOYSA-N
Compound name
butyl 1-benzyl-4-(benzylamino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 196.2
[M+Na]+ 403.23559 197.4
[M-H]- 379.23909 202.1
[M+NH4]+ 398.28019 206.9
[M+K]+ 419.20953 192.4
[M+H-H2O]+ 363.24363 184.8
[M+HCOO]- 425.24457 213.3
[M+CH3COO]- 439.26022 220.4
[M+Na-2H]- 401.22104 197.9
[M]+ 380.24582 193.4
[M]- 380.24692 193.4
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