CID 3044482

Pyridine, 3,4-dimethyl-2-((3,4,5-trimethoxyphenyl)methyl)-

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC1=C(C(=NC=C1)CC2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C17H21NO3/c1-11-6-7-18-14(12(11)2)8-13-9-15(19-3)17(21-5)16(10-13)20-4/h6-7,9-10H,8H2,1-5H3
InChIKey
DTWUIAUDELIFEE-UHFFFAOYSA-N
Compound name
3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 167.8
[M+Na]+ 310.14135 183.4
[M+NH4]+ 305.18595 175.4
[M+K]+ 326.11529 175.7
[M-H]- 286.14485 171.8
[M+Na-2H]- 308.12680 175.8
[M]+ 287.15158 171.4
[M]- 287.15268 171.4
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