CID 207085

3-quinuclidinyl 9,10-dihydro-9-anthroate

Structural Information

Molecular Formula
C22H23NO2
SMILES
C1CN2CCC1C(C2)OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35
InChI
InChI=1S/C22H23NO2/c24-22(25-20-14-23-11-9-15(20)10-12-23)21-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)21/h1-8,15,20-21H,9-14H2
InChIKey
DCVFVRXNLHLACD-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 9,10-dihydroanthracene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 169.8
[M+Na]+ 356.16210 171.1
[M-H]- 332.16560 168.5
[M+NH4]+ 351.20670 186.8
[M+K]+ 372.13604 165.7
[M+H-H2O]+ 316.17014 159.1
[M+HCOO]- 378.17108 174.4
[M+CH3COO]- 392.18673 176.3
[M+Na-2H]- 354.14755 178.3
[M]+ 333.17233 168.1
[M]- 333.17343 168.1
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