CID 137965659

2230803-55-9

Structural Information

Molecular Formula
C24H23NO4
SMILES
C#CCC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H23NO4/c1-2-11-24(22(26)27)12-14-25(15-13-24)23(28)29-16-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h1,3-10,21H,11-16H2,(H,26,27)
InChIKey
NOCXFRKABFNAHB-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-prop-2-ynylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17000 200.3
[M+Na]+ 412.15194 209.2
[M-H]- 388.15544 202.4
[M+NH4]+ 407.19654 212.9
[M+K]+ 428.12588 198.0
[M+H-H2O]+ 372.15998 185.9
[M+HCOO]- 434.16092 208.3
[M+CH3COO]- 448.17657 206.5
[M+Na-2H]- 410.13739 198.2
[M]+ 389.16217 193.4
[M]- 389.16327 193.4
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.