CID 137928440

2260932-22-5

Structural Information

Molecular Formula
C24H25NO6
SMILES
CCOC(=O)C1(CCCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H25NO6/c1-2-30-22(28)24(21(26)27)12-7-13-25(15-24)23(29)31-14-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,20H,2,7,12-15H2,1H3,(H,26,27)
InChIKey
JPIZDNGCUJFBFP-UHFFFAOYSA-N
Compound name
3-ethoxycarbonyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.16818 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.17546 200.8
[M+Na]+ 446.15740 204.7
[M-H]- 422.16090 205.4
[M+NH4]+ 441.20200 213.5
[M+K]+ 462.13134 201.3
[M+H-H2O]+ 406.16544 192.3
[M+HCOO]- 468.16638 213.1
[M+CH3COO]- 482.18203 222.6
[M+Na-2H]- 444.14285 199.8
[M]+ 423.16763 201.7
[M]- 423.16873 201.7
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.