CID 3689

Ifenprodil

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
InChIKey
UYNVMODNBIQBMV-UHFFFAOYSA-N
Compound name
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

973
References

8719
Patents

325.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.9
[M+Na]+ 348.19342 194.4
[M+NH4]+ 343.23802 189.5
[M+K]+ 364.16736 187.0
[M-H]- 324.19692 186.9
[M+Na-2H]- 346.17887 189.5
[M]+ 325.20365 185.0
[M]- 325.20475 185.0
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