CID 3055

Diphenidol

Structural Information

Molecular Formula
C21H27NO
SMILES
C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2
InChIKey
OGAKLTJNUQRZJU-UHFFFAOYSA-N
Compound name
1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

88
References

7703
Patents

309.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 179.4
[M+Na]+ 332.19848 192.5
[M+NH4]+ 327.24308 187.9
[M+K]+ 348.17242 183.5
[M-H]- 308.20198 185.1
[M+Na-2H]- 330.18393 189.1
[M]+ 309.20871 183.0
[M]- 309.20981 183.0
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