CID 2756126

Racemic fmoc-trans-3-phenylazetidine-2-carboxylic acid

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1C(C(N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C5=CC=CC=C5
InChI
InChI=1S/C25H21NO4/c27-24(28)23-21(16-8-2-1-3-9-16)14-26(23)25(29)30-15-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h1-13,21-23H,14-15H2,(H,27,28)
InChIKey
SQMOPSBYDIMJRP-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-phenylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

399.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 193.2
[M+Na]+ 422.13628 202.5
[M+NH4]+ 417.18088 196.6
[M+K]+ 438.11022 198.7
[M-H]- 398.13978 195.2
[M+Na-2H]- 420.12173 196.8
[M]+ 399.14651 193.9
[M]- 399.14761 193.9
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

patents stripe