CID 3070428

3-tropinyl 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C25H25NO4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CC4CCC(C3)N4C)C5=CC=CC=C5
InChI
InChI=1S/C25H25NO4/c1-15-22(27)20-9-6-10-21(24(20)30-23(15)16-7-4-3-5-8-16)25(28)29-19-13-17-11-12-18(14-19)26(17)2/h3-10,17-19H,11-14H2,1-2H3
InChIKey
LEWQBRHXOAEJGX-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.17834 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18562 197.2
[M+Na]+ 426.16756 204.1
[M-H]- 402.17106 206.3
[M+NH4]+ 421.21216 209.3
[M+K]+ 442.14150 199.8
[M+H-H2O]+ 386.17560 187.5
[M+HCOO]- 448.17654 210.8
[M+CH3COO]- 462.19219 206.4
[M+Na-2H]- 424.15301 196.7
[M]+ 403.17779 198.6
[M]- 403.17889 198.6
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.