CID 132349067

317354-98-6

Structural Information

Molecular Formula
C25H23NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC=CC(=C4)CCC(=O)O
InChI
InChI=1S/C25H23NO4/c27-24(28)13-12-17-6-5-7-18(14-17)15-26-25(29)30-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-11,14,23H,12-13,15-16H2,(H,26,29)(H,27,28)
InChIKey
UKMIRIYZVGARDE-UHFFFAOYSA-N
Compound name
3-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 197.9
[M+Na]+ 424.15194 210.1
[M+NH4]+ 419.19654 205.0
[M+K]+ 440.12588 203.9
[M-H]- 400.15544 202.1
[M+Na-2H]- 422.13739 203.3
[M]+ 401.16217 200.7
[M]- 401.16327 200.7
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.