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
7
Annotation Hits

88
References

8412
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 176.9
[M+Na]+ 332.19848 178.4
[M-H]- 308.20198 181.6
[M+NH4]+ 327.24308 188.2
[M+K]+ 348.17242 172.7
[M+H-H2O]+ 292.20652 166.9
[M+HCOO]- 354.20746 191.5
[M+CH3COO]- 368.22311 202.5
[M+Na-2H]- 330.18393 180.9
[M]+ 309.20871 170.8
[M]- 309.20981 170.8
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.