CID 3103

Diphenylpyraline

Structural Information

Molecular Formula
C19H23NO
SMILES
CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKey
OWQUZNMMYNAXSL-UHFFFAOYSA-N
Compound name
4-benzhydryloxy-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

82
References

7696
Patents

281.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 169.7
[M+Na]+ 304.16720 184.2
[M+NH4]+ 299.21180 179.1
[M+K]+ 320.14114 175.1
[M-H]- 280.17070 176.5
[M+Na-2H]- 302.15265 180.1
[M]+ 281.17743 173.8
[M]- 281.17853 173.8
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