CID 17040157

885274-47-5

Structural Information

Molecular Formula
C24H27NO4
SMILES
C1CN(CCC1CCCC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c26-23(27)11-5-6-17-12-14-25(15-13-17)24(28)29-16-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,17,22H,5-6,11-16H2,(H,26,27)
InChIKey
YYRZYEJDKCYTOM-UHFFFAOYSA-N
Compound name
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

393.194 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 196.2
[M+Na]+ 416.18322 199.4
[M-H]- 392.18672 200.4
[M+NH4]+ 411.22782 208.3
[M+K]+ 432.15716 194.1
[M+H-H2O]+ 376.19126 187.1
[M+HCOO]- 438.19220 209.1
[M+CH3COO]- 452.20785 219.0
[M+Na-2H]- 414.16867 194.4
[M]+ 393.19345 195.1
[M]- 393.19455 195.1
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