CID 90747

22185-50-8

Structural Information

Molecular Formula
C22H25NO
SMILES
CC1=C(C(N(C=C1)CC2=CC=CC=C2)CC3=CC=C(C=C3)OC)C
InChI
InChI=1S/C22H25NO/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/h4-14,22H,15-16H2,1-3H3
InChIKey
KSKPCURZYVZTBP-UHFFFAOYSA-N
Compound name
1-benzyl-2-[(4-methoxyphenyl)methyl]-3,4-dimethyl-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

319.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.200876 179.6
[M+Na]+ 342.182818 186.6
[M-H]- 318.186324 187.6
[M+NH4]+ 337.227423 192.6
[M+K]+ 358.156758 180.8
[M+H-H2O]+ 302.190860 169.3
[M+HCOO]- 364.191801 199.9
[M+CH3COO]- 378.207451 211.4
[M+Na-2H]- 340.168266 181.8
[M]+ 319.19305142 180.6
[M]- 319.19414858 180.6
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

patents stripe