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

2
Patents

305.1991 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 173.6
[M+Na]+ 328.18832 181.8
[M-H]- 304.19182 179.3
[M+NH4]+ 323.23292 188.3
[M+K]+ 344.16226 179.2
[M+H-H2O]+ 288.19636 165.3
[M+HCOO]- 350.19730 193.0
[M+CH3COO]- 364.21295 210.6
[M+Na-2H]- 326.17377 173.4
[M]+ 305.19855 178.5
[M]- 305.19965 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