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]+ 380.185616 192.1
[M+Na]+ 402.167558 196.1
[M-H]- 378.171064 198.5
[M+NH4]+ 397.212163 209.8
[M+K]+ 418.141498 191.3
[M+H-H2O]+ 362.175600 185.3
[M+HCOO]- 424.176541 210.1
[M+CH3COO]- 438.192191 216.4
[M+Na-2H]- 400.153006 191.9
[M]+ 379.17779142 192.0
[M]- 379.17888858 192.0
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.