CID 420422

Convolamine

Structural Information

Molecular Formula
C17H23NO4
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3
InChIKey
AEFPCFUCFQBXDQ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

305.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 171.7
[M+Na]+ 328.151938 177.7
[M-H]- 304.155444 176.0
[M+NH4]+ 323.196543 188.8
[M+K]+ 344.125878 175.5
[M+H-H2O]+ 288.159980 164.4
[M+HCOO]- 350.160921 188.2
[M+CH3COO]- 364.176571 206.0
[M+Na-2H]- 326.137386 171.8
[M]+ 305.16217142 174.0
[M]- 305.16326858 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe