CID 3071144

Brn 5596228

Structural Information

Molecular Formula
C18H19NO4
SMILES
CN1[C@@H]2CCC1CCC2OC(=O)C3=CC(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C18H19NO4/c1-19-11-6-8-13(19)16(9-7-11)23-18(21)17-10-14(20)12-4-2-3-5-15(12)22-17/h2-5,10-11,13,16H,6-9H2,1H3/t11?,13-,16?/m1/s1
InChIKey
TVDBTMAYKPTBJX-RYCVTPFZSA-N
Compound name
[(1R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 170.1
[M+Na]+ 336.120618 177.3
[M-H]- 312.124124 176.1
[M+NH4]+ 331.165223 186.2
[M+K]+ 352.094558 174.6
[M+H-H2O]+ 296.128660 162.4
[M+HCOO]- 358.129601 185.1
[M+CH3COO]- 372.145251 181.0
[M+Na-2H]- 334.106066 172.9
[M]+ 313.13085142 171.2
[M]- 313.13194858 171.2
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.