CID 154853079

2752075-75-3

Structural Information

Molecular Formula
C27H25NO4
SMILES
C1C[C@H](C[C@@H]1C2=CC=C(C=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C27H25NO4/c29-26(30)19-10-9-18(15-19)17-11-13-20(14-12-17)28-27(31)32-16-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,11-14,18-19,25H,9-10,15-16H2,(H,28,31)(H,29,30)/t18-,19-/m1/s1
InChIKey
VQQARSBBPXVDAV-RTBURBONSA-N
Compound name
(1R,3R)-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.17834 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18562 201.8
[M+Na]+ 450.16756 205.7
[M-H]- 426.17106 211.8
[M+NH4]+ 445.21216 215.3
[M+K]+ 466.14150 200.1
[M+H-H2O]+ 410.17560 193.9
[M+HCOO]- 472.17654 219.6
[M+CH3COO]- 486.19219 210.2
[M+Na-2H]- 448.15301 199.2
[M]+ 427.17779 200.9
[M]- 427.17889 200.9
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.