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 199.6
[M+Na]+ 432.17815 203.8
[M-H]- 408.18165 204.2
[M+NH4]+ 427.22275 213.1
[M+K]+ 448.15209 199.5
[M+H-H2O]+ 392.18619 190.7
[M+HCOO]- 454.18713 212.7
[M+CH3COO]- 468.20278 220.7
[M+Na-2H]- 430.16360 199.3
[M]+ 409.18838 200.4
[M]- 409.18948 200.4
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.