CID 21950

Piminodine

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CCCNC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21/h3-8,10-13,24H,2,9,14-19H2,1H3
InChIKey
PXXKIYPSXYFATG-UHFFFAOYSA-N
Compound name
ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

7666
Patents

366.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 193.5
[M+Na]+ 389.21996 205.5
[M+NH4]+ 384.26456 202.2
[M+K]+ 405.19390 194.6
[M-H]- 365.22346 199.5
[M+Na-2H]- 387.20541 203.4
[M]+ 366.23019 197.0
[M]- 366.23129 197.0
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