CID 51176

7-methyl-3-(3,4,5-trimethoxybenzoyl)bispidine fumarate

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CN1CC2CC(C1)CN(C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C18H26N2O4/c1-19-8-12-5-13(9-19)11-20(10-12)18(21)14-6-15(22-2)17(24-4)16(7-14)23-3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKey
HSEBSJBVEGKMCP-UHFFFAOYSA-N
Compound name
(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19655 181.0
[M+Na]+ 357.17849 186.4
[M-H]- 333.18199 183.4
[M+NH4]+ 352.22309 193.6
[M+K]+ 373.15243 184.0
[M+H-H2O]+ 317.18653 171.6
[M+HCOO]- 379.18747 193.3
[M+CH3COO]- 393.20312 213.7
[M+Na-2H]- 355.16394 181.5
[M]+ 334.18872 182.2
[M]- 334.18982 182.2
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

No patent data available for this compound.