CID 156757801

2351924-32-6

Structural Information

Molecular Formula
C29H23NO4
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C29H23NO4/c31-28(32)27(21-12-8-11-20(17-21)19-9-2-1-3-10-19)30-29(33)34-18-26-24-15-6-4-13-22(24)23-14-5-7-16-25(23)26/h1-17,26-27H,18H2,(H,30,33)(H,31,32)
InChIKey
PWRYJYDNUXZTTJ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.16272 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.17000 207.7
[M+Na]+ 472.15194 211.3
[M-H]- 448.15544 217.1
[M+NH4]+ 467.19654 217.7
[M+K]+ 488.12588 205.6
[M+H-H2O]+ 432.15998 197.7
[M+HCOO]- 494.16092 225.5
[M+CH3COO]- 508.17657 215.3
[M+Na-2H]- 470.13739 208.1
[M]+ 449.16217 208.0
[M]- 449.16327 208.0
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.