CID 467748

Epoxide deriv.

Structural Information

Molecular Formula
C20H19NO3
SMILES
C1CN(CC2C1O2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C20H19NO3/c22-20(21-10-9-18-19(11-21)24-18)23-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19H,9-12H2
InChIKey
ZZDFHQUZOCMXTK-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 175.4
[M+Na]+ 344.12572 184.4
[M-H]- 320.12922 183.7
[M+NH4]+ 339.17032 186.7
[M+K]+ 360.09966 179.8
[M+H-H2O]+ 304.13376 167.3
[M+HCOO]- 366.13470 190.7
[M+CH3COO]- 380.15035 185.7
[M+Na-2H]- 342.11117 178.9
[M]+ 321.13595 178.8
[M]- 321.13705 178.8
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.