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]+ 368.149246 186.8
[M+Na]+ 390.131188 191.8
[M-H]- 366.134694 192.1
[M+NH4]+ 385.175793 195.9
[M+K]+ 406.105128 191.4
[M+H-H2O]+ 350.139230 174.1
[M+HCOO]- 412.140171 202.0
[M+CH3COO]- 426.155821 215.4
[M+Na-2H]- 388.116636 187.8
[M]+ 367.14142142 198.9
[M]- 367.14251858 198.9
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.