CID 132327657

1366505-88-5

Structural Information

Molecular Formula
C24H20INO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=CC(=CC=C4)I
InChI
InChI=1S/C24H20INO4/c25-16-7-5-6-15(12-16)22(13-23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKey
SKTSPSIMLVUKHC-JOCHJYFZSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-iodophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.0437 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.05098 214.4
[M+Na]+ 536.03292 218.1
[M+NH4]+ 531.07752 216.7
[M+K]+ 552.00686 215.5
[M-H]- 512.03642 211.9
[M+Na-2H]- 534.01837 206.0
[M]+ 513.04315 213.0
[M]- 513.04425 213.0
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.