CID 3070424

3-quinuclidinyl 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C24H23NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CN4CCC3CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H23NO4/c1-15-21(26)18-8-5-9-19(23(18)29-22(15)17-6-3-2-4-7-17)24(27)28-20-14-25-12-10-16(20)11-13-25/h2-9,16,20H,10-14H2,1H3
InChIKey
OUVRQEDIEUQCGG-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

389.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17000 185.5
[M+Na]+ 412.15194 189.1
[M-H]- 388.15544 188.1
[M+NH4]+ 407.19654 198.4
[M+K]+ 428.12588 185.8
[M+H-H2O]+ 372.15998 174.3
[M+HCOO]- 434.16092 192.0
[M+CH3COO]- 448.17657 192.6
[M+Na-2H]- 410.13739 192.9
[M]+ 389.16217 188.4
[M]- 389.16327 188.4
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