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
8
Annotation Hits

82
References

8280
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 168.2
[M+Na]+ 304.16720 171.3
[M-H]- 280.17070 174.9
[M+NH4]+ 299.21180 181.5
[M+K]+ 320.14114 166.9
[M+H-H2O]+ 264.17524 158.0
[M+HCOO]- 326.17618 185.7
[M+CH3COO]- 340.19183 177.8
[M+Na-2H]- 302.15265 171.0
[M]+ 281.17743 163.5
[M]- 281.17853 163.5
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