CID 173755

Brn 0451018

Structural Information

Molecular Formula
C24H30N2O2
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C24H30N2O2/c1-3-23(28)26(22-12-8-5-9-13-22)24(20(2)27)15-18-25(19-16-24)17-14-21-10-6-4-7-11-21/h4-13H,3,14-19H2,1-2H3
InChIKey
QWGNBDHHZUUXTP-UHFFFAOYSA-N
Compound name
N-[4-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

378.23074 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 195.1
[M+Na]+ 401.21996 196.5
[M-H]- 377.22346 202.7
[M+NH4]+ 396.26456 206.4
[M+K]+ 417.19390 192.9
[M+H-H2O]+ 361.22800 184.1
[M+HCOO]- 423.22894 212.0
[M+CH3COO]- 437.24459 223.8
[M+Na-2H]- 399.20541 195.0
[M]+ 378.23019 192.3
[M]- 378.23129 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe