CID 155894020

2219374-93-1

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1C(CC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CO
InChI
InChI=1S/C21H21NO5/c23-11-13-9-21(10-13,19(24)25)22-20(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,23H,9-12H2,(H,22,26)(H,24,25)
InChIKey
GCAPAFYSGBCRAF-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 188.7
[M+Na]+ 390.13119 193.5
[M+NH4]+ 385.17579 192.3
[M+K]+ 406.10513 189.9
[M-H]- 366.13469 187.7
[M+Na-2H]- 388.11664 189.9
[M]+ 367.14142 187.7
[M]- 367.14252 187.7
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.