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 192.1
[M+Na]+ 402.16756 196.1
[M-H]- 378.17106 198.5
[M+NH4]+ 397.21216 209.8
[M+K]+ 418.14150 191.3
[M+H-H2O]+ 362.17560 185.3
[M+HCOO]- 424.17654 210.1
[M+CH3COO]- 438.19219 216.4
[M+Na-2H]- 400.15301 191.9
[M]+ 379.17779 192.0
[M]- 379.17889 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.