CID 121604508

1987403-13-3

Structural Information

Molecular Formula
C24H27NO5
SMILES
COCCC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H27NO5/c1-29-15-12-24(22(26)27)10-13-25(14-11-24)23(28)30-16-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,21H,10-16H2,1H3,(H,26,27)
InChIKey
PMNQQGTVQSPFOM-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.18893 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.19621 199.3
[M+Na]+ 432.17815 209.7
[M+NH4]+ 427.22275 207.0
[M+K]+ 448.15209 203.1
[M-H]- 408.18165 201.3
[M+Na-2H]- 430.16360 203.3
[M]+ 409.18838 201.3
[M]- 409.18948 201.3
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

No patent data available for this compound.