CID 3038995

42045-95-4

Structural Information

Molecular Formula
C23H30N2O
SMILES
CCC(=O)N(C1CC(N(CC1C)CC2=CC=CC=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O/c1-4-23(26)25(21-13-9-6-10-14-21)22-15-19(3)24(16-18(22)2)17-20-11-7-5-8-12-20/h5-14,18-19,22H,4,15-17H2,1-3H3
InChIKey
TZWBQMYXXMASER-UHFFFAOYSA-N
Compound name
N-(1-benzyl-2,5-dimethylpiperidin-4-yl)-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.243076 188.8
[M+Na]+ 373.225018 191.6
[M-H]- 349.228524 196.9
[M+NH4]+ 368.269623 200.1
[M+K]+ 389.198958 187.2
[M+H-H2O]+ 333.233060 177.8
[M+HCOO]- 395.234001 206.6
[M+CH3COO]- 409.249651 221.5
[M+Na-2H]- 371.210466 187.8
[M]+ 350.23525142 186.1
[M]- 350.23634858 186.1
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

No patent data available for this compound.