CID 2761488

201484-50-6

Structural Information

Molecular Formula
C30H25NO4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C30H25NO4/c32-29(33)28(27(20-11-3-1-4-12-20)21-13-5-2-6-14-21)31-30(34)35-19-26-24-17-9-7-15-22(24)23-16-8-10-18-25(23)26/h1-18,26-28H,19H2,(H,31,34)(H,32,33)/t28-/m0/s1
InChIKey
PENQOTJCVODUQU-NDEPHWFRSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

463.17834 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.18562 213.4
[M+Na]+ 486.16756 226.3
[M+NH4]+ 481.21216 220.5
[M+K]+ 502.14150 219.9
[M-H]- 462.17106 219.9
[M+Na-2H]- 484.15301 221.1
[M]+ 463.17779 217.0
[M]- 463.17889 217.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe