CID 139026683

2361636-05-5

Structural Information

Molecular Formula
C21H21NO5
SMILES
COC1(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C21H21NO5/c1-26-21(10-19(23)24)12-22(13-21)20(25)27-11-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,23,24)
InChIKey
MOUKWVRCWWSLNX-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-methoxyazetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.4
[M+Na]+ 390.13119 192.8
[M+NH4]+ 385.17579 190.0
[M+K]+ 406.10513 188.9
[M-H]- 366.13469 185.0
[M+Na-2H]- 388.11664 188.1
[M]+ 367.14142 185.6
[M]- 367.14252 185.6
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.