CID 91057

23909-52-6

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1=C(C(N(CC1)CC2=CC=CC=C2)CC3=CC=C(C=C3)OC)C
InChI
InChI=1S/C22H27NO/c1-17-13-14-23(16-20-7-5-4-6-8-20)22(18(17)2)15-19-9-11-21(24-3)12-10-19/h4-12,22H,13-16H2,1-3H3
InChIKey
FGVXHUJLIAKCEK-UHFFFAOYSA-N
Compound name
1-benzyl-6-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 181.6
[M+Na]+ 344.19848 198.0
[M+NH4]+ 339.24308 190.7
[M+K]+ 360.17242 187.7
[M-H]- 320.20198 188.9
[M+Na-2H]- 342.18393 191.8
[M]+ 321.20871 186.3
[M]- 321.20981 186.3
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

patents stripe