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

11
Patents

287.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 166.8
[M+Na]+ 310.141348 176.6
[M-H]- 286.144854 173.1
[M+NH4]+ 305.185953 182.1
[M+K]+ 326.115288 173.7
[M+H-H2O]+ 270.149390 158.4
[M+HCOO]- 332.150331 189.5
[M+CH3COO]- 346.165981 205.6
[M+Na-2H]- 308.126796 169.8
[M]+ 287.15158142 173.8
[M]- 287.15267858 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