CID 165487865

En300-755437

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]+ 408.21694 200.7
[M+Na]+ 430.19888 203.4
[M-H]- 406.20238 204.6
[M+NH4]+ 425.24348 212.2
[M+K]+ 446.17282 198.0
[M+H-H2O]+ 390.20692 191.4
[M+HCOO]- 452.20786 213.2
[M+CH3COO]- 466.22351 221.9
[M+Na-2H]- 428.18433 198.4
[M]+ 407.20911 199.9
[M]- 407.21021 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.