CID 137949258

1823724-86-2

Structural Information

Molecular Formula
C25H22FNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(CC4=CC(=CC=C4)F)C(=O)O
InChI
InChI=1S/C25H22FNO4/c26-18-7-5-6-16(13-18)12-17(24(28)29)14-27-25(30)31-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-11,13,17,23H,12,14-15H2,(H,27,30)(H,28,29)
InChIKey
QZIRURDGMVMQFK-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(3-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1533 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16058 200.7
[M+Na]+ 442.14252 211.4
[M+NH4]+ 437.18712 206.8
[M+K]+ 458.11646 206.1
[M-H]- 418.14602 203.1
[M+Na-2H]- 440.12797 204.9
[M]+ 419.15275 202.6
[M]- 419.15385 202.6
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.