CID 126821246

3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-2-(4-fluorophenoxy)propanoic acid

Structural Information

Molecular Formula
C24H20FNO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(C(=O)O)OC4=CC=C(C=C4)F
InChI
InChI=1S/C24H20FNO5/c25-15-9-11-16(12-10-15)31-22(23(27)28)13-26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)
InChIKey
IPCGGIWWEWKDHC-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-fluorophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.13254 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13982 197.5
[M+Na]+ 444.12176 202.2
[M-H]- 420.12526 202.9
[M+NH4]+ 439.16636 209.4
[M+K]+ 460.09570 198.0
[M+H-H2O]+ 404.12980 188.1
[M+HCOO]- 466.13074 215.1
[M+CH3COO]- 480.14639 226.2
[M+Na-2H]- 442.10721 198.0
[M]+ 421.13199 199.5
[M]- 421.13309 199.5
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

No patent data available for this compound.