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]+ 314.13868 170.1
[M+Na]+ 336.12062 177.3
[M-H]- 312.12412 176.1
[M+NH4]+ 331.16522 186.2
[M+K]+ 352.09456 174.6
[M+H-H2O]+ 296.12866 162.4
[M+HCOO]- 358.12960 185.1
[M+CH3COO]- 372.14525 181.0
[M+Na-2H]- 334.10607 172.9
[M]+ 313.13085 171.2
[M]- 313.13195 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.