CID 165991942

2770451-71-1

Structural Information

Molecular Formula
C26H22ClNO4
SMILES
C1C(CC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5Cl
InChI
InChI=1S/C26H22ClNO4/c27-23-12-6-5-7-17(23)16-13-26(14-16,24(29)30)28-25(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,16,22H,13-15H2,(H,28,31)(H,29,30)
InChIKey
RMIBOXWSFXVNIP-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.12375 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.13103 203.9
[M+Na]+ 470.11297 209.4
[M-H]- 446.11647 213.2
[M+NH4]+ 465.15757 211.6
[M+K]+ 486.08691 206.0
[M+H-H2O]+ 430.12101 190.8
[M+HCOO]- 492.12195 216.5
[M+CH3COO]- 506.13760 212.0
[M+Na-2H]- 468.09842 204.0
[M]+ 447.12320 215.4
[M]- 447.12430 215.4
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.