CID 165487865

5-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)pentanoic acid

Structural Information

Molecular Formula
C25H29NO4
SMILES
C1CN(CCC1CCCCC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H29NO4/c27-24(28)12-6-1-7-18-13-15-26(16-14-18)25(29)30-17-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-5,8-11,18,23H,1,6-7,12-17H2,(H,27,28)
InChIKey
QPYHXZFPUXCLHN-UHFFFAOYSA-N
Compound name
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.216936 200.7
[M+Na]+ 430.198878 203.4
[M-H]- 406.202384 204.6
[M+NH4]+ 425.243483 212.2
[M+K]+ 446.172818 198.0
[M+H-H2O]+ 390.206920 191.4
[M+HCOO]- 452.207861 213.2
[M+CH3COO]- 466.223511 221.9
[M+Na-2H]- 428.184326 198.4
[M]+ 407.20911142 199.9
[M]- 407.21020858 199.9
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.