CID 136547461

2095411-04-2

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CCC(C1)(CC(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO4/c25-21(26)13-23(11-5-6-12-23)15-24-22(27)28-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20H,5-6,11-15H2,(H,24,27)(H,25,26)
InChIKey
UDHYFSZTGYDKGE-UHFFFAOYSA-N
Compound name
2-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 192.2
[M+Na]+ 402.16756 200.6
[M+NH4]+ 397.21216 200.6
[M+K]+ 418.14150 195.8
[M-H]- 378.17106 194.9
[M+Na-2H]- 400.15301 196.3
[M]+ 379.17779 193.9
[M]- 379.17889 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

No patent data available for this compound.