CID 3079308

125080-85-5

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCOCCN1CC[C@H]([C@H](C1)C)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-3-27-17-16-24-15-14-22(19(2)18-24)25(21-12-8-5-9-13-21)23(26)20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m0/s1
InChIKey
MQRDHUIPVBAAQH-SIKLNZKXSA-N
Compound name
N-[(3S,4R)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 191.9
[M+Na]+ 389.219958 193.5
[M-H]- 365.223464 199.6
[M+NH4]+ 384.264563 202.1
[M+K]+ 405.193898 189.8
[M+H-H2O]+ 349.228000 180.4
[M+HCOO]- 411.228941 209.8
[M+CH3COO]- 425.244591 222.4
[M+Na-2H]- 387.205406 191.7
[M]+ 366.23019142 190.1
[M]- 366.23128858 190.1
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.