CID 379985

Nsc665290

Structural Information

Molecular Formula
C22H23NO3
SMILES
C1CN2CCC1C(C2)OC(=O)C3(COC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C22H23NO3/c24-21(26-20-14-23-12-10-16(20)11-13-23)22(17-6-2-1-3-7-17)15-25-19-9-5-4-8-18(19)22/h1-9,16,20H,10-15H2
InChIKey
SXDCIALDVALDBJ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 3-phenyl-2H-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 173.4
[M+Na]+ 372.15702 176.0
[M-H]- 348.16052 175.6
[M+NH4]+ 367.20162 191.5
[M+K]+ 388.13096 172.3
[M+H-H2O]+ 332.16506 163.4
[M+HCOO]- 394.16600 180.3
[M+CH3COO]- 408.18165 181.1
[M+Na-2H]- 370.14247 180.4
[M]+ 349.16725 173.9
[M]- 349.16835 173.9
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.