CID 62516

Benzethidine

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCOC(=O)C1(CCN(CC1)CCOCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO3/c1-2-27-22(25)23(21-11-7-4-8-12-21)13-15-24(16-14-23)17-18-26-19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3
InChIKey
UVTBZAWTRVBTMK-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1-(2-phenylmethoxyethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

628
Patents

367.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 192.5
[M+Na]+ 390.20397 194.9
[M-H]- 366.20747 198.8
[M+NH4]+ 385.24857 204.0
[M+K]+ 406.17791 190.7
[M+H-H2O]+ 350.21201 181.4
[M+HCOO]- 412.21295 209.1
[M+CH3COO]- 426.22860 214.5
[M+Na-2H]- 388.18942 194.1
[M]+ 367.21420 191.4
[M]- 367.21530 191.4
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