CID 9932000

527680-56-4

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1
InChIKey
LUVXHMJTVXZFPD-ZDUSSCGKSA-N
Compound name
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

78
Patents

288.1474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 154.9
[M+Na]+ 311.136618 156.2
[M-H]- 287.140124 154.2
[M+NH4]+ 306.181223 170.5
[M+K]+ 327.110558 155.5
[M+H-H2O]+ 271.144660 146.2
[M+HCOO]- 333.145601 160.4
[M+CH3COO]- 347.161251 162.8
[M+Na-2H]- 309.122066 165.8
[M]+ 288.14685142 153.8
[M]- 288.14794858 153.8
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