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]+ 367.23802 192.4
[M+Na]+ 389.21996 204.9
[M+NH4]+ 384.26456 199.9
[M+K]+ 405.19390 196.5
[M-H]- 365.22346 198.8
[M+Na-2H]- 387.20541 200.9
[M]+ 366.23019 196.0
[M]- 366.23129 196.0
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.