CID 2817758

215190-19-5

Structural Information

Molecular Formula
C27H25NO4
SMILES
C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H25NO4/c29-25(30)27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30)
InChIKey
JWEBOBGECOQGTL-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

427.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18562 204.8
[M+Na]+ 450.16756 209.0
[M-H]- 426.17106 212.5
[M+NH4]+ 445.21216 216.8
[M+K]+ 466.14150 203.0
[M+H-H2O]+ 410.17560 194.1
[M+HCOO]- 472.17654 217.8
[M+CH3COO]- 486.19219 212.1
[M+Na-2H]- 448.15301 204.5
[M]+ 427.17779 202.3
[M]- 427.17889 202.3
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

patents stripe