CID 94054

58451-85-7

Structural Information

Molecular Formula
C31H31NO2
SMILES
C1CC(NC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C31H31NO2/c33-30(24-14-5-1-6-15-24,25-16-7-2-8-17-25)28-22-13-23-29(32-28)31(34,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21,28-29,32-34H,13,22-23H2
InChIKey
JFGXCMKVTZAJMD-UHFFFAOYSA-N
Compound name
[6-[hydroxy(diphenyl)methyl]piperidin-2-yl]-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.23547 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.24275 208.3
[M+Na]+ 472.22469 207.9
[M-H]- 448.22819 215.8
[M+NH4]+ 467.26929 211.0
[M+K]+ 488.19863 199.4
[M+H-H2O]+ 432.23273 196.1
[M+HCOO]- 494.23367 217.1
[M+CH3COO]- 508.24932 212.5
[M+Na-2H]- 470.21014 211.7
[M]+ 449.23492 197.6
[M]- 449.23602 197.6
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.