CID 3044478

1,3,4-trimethyl-2-(3,4,5-trimethoxybenzyl)-1,2,5,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC1=C(C(N(CC1)C)CC2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C18H27NO3/c1-12-7-8-19(3)15(13(12)2)9-14-10-16(20-4)18(22-6)17(11-14)21-5/h10-11,15H,7-9H2,1-6H3
InChIKey
WOLFMOITTWGWJI-UHFFFAOYSA-N
Compound name
1,4,5-trimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

305.1991 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 173.6
[M+Na]+ 328.188318 181.8
[M-H]- 304.191824 179.3
[M+NH4]+ 323.232923 188.3
[M+K]+ 344.162258 179.2
[M+H-H2O]+ 288.196360 165.3
[M+HCOO]- 350.197301 193.0
[M+CH3COO]- 364.212951 210.6
[M+Na-2H]- 326.173766 173.4
[M]+ 305.19855142 178.5
[M]- 305.19964858 178.5
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