CID 4526531

851292-43-8

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1CN(CC(=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19NO4/c23-20(24)14-6-5-11-22(12-14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,6-10,19H,5,11-13H2,(H,23,24)
InChIKey
BVZYISLKDUHKRZ-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 181.6
[M+Na]+ 372.12062 187.3
[M-H]- 348.12412 186.9
[M+NH4]+ 367.16522 195.8
[M+K]+ 388.09456 182.5
[M+H-H2O]+ 332.12866 173.1
[M+HCOO]- 394.12960 197.1
[M+CH3COO]- 408.14525 191.0
[M+Na-2H]- 370.10607 182.5
[M]+ 349.13085 181.1
[M]- 349.13195 181.1
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