CID 2756126

204320-45-6

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

6
Patents

399.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.154336 193.2
[M+Na]+ 422.136278 197.8
[M-H]- 398.139784 201.4
[M+NH4]+ 417.180883 198.8
[M+K]+ 438.110218 195.8
[M+H-H2O]+ 382.144320 178.5
[M+HCOO]- 444.145261 208.1
[M+CH3COO]- 458.160911 201.4
[M+Na-2H]- 420.121726 192.5
[M]+ 399.14651142 202.5
[M]- 399.14760858 202.5
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