CID 138040677

2247107-68-0

Structural Information

Molecular Formula
C20H19NO5
SMILES
COC1(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H19NO5/c1-25-20(18(22)23)11-21(12-20)19(24)26-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,22,23)
InChIKey
AKIAOSUJLWPIES-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxyazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 182.1
[M+Na]+ 376.11552 187.7
[M-H]- 352.11902 187.7
[M+NH4]+ 371.16012 191.8
[M+K]+ 392.08946 187.4
[M+H-H2O]+ 336.12356 169.7
[M+HCOO]- 398.12450 197.7
[M+CH3COO]- 412.14015 212.6
[M+Na-2H]- 374.10097 183.7
[M]+ 353.12575 194.0
[M]- 353.12685 194.0
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.