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 166.8
[M+Na]+ 310.14135 176.6
[M-H]- 286.14485 173.1
[M+NH4]+ 305.18595 182.1
[M+K]+ 326.11529 173.7
[M+H-H2O]+ 270.14939 158.4
[M+HCOO]- 332.15033 189.5
[M+CH3COO]- 346.16598 205.6
[M+Na-2H]- 308.12680 169.8
[M]+ 287.15158 173.8
[M]- 287.15268 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

No literature data available for this compound.

Patent stripe

patents stripe