CID 132350923

2137617-35-5

Structural Information

Molecular Formula
C23H21NO4
SMILES
C1CN(CCC1C#CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H21NO4/c25-22(26)10-9-16-11-13-24(14-12-16)23(27)28-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21H,11-15H2,(H,25,26)
InChIKey
UXOZOUXTITZOMW-UHFFFAOYSA-N
Compound name
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 195.0
[M+Na]+ 398.13628 203.1
[M-H]- 374.13978 197.0
[M+NH4]+ 393.18088 206.3
[M+K]+ 414.11022 192.7
[M+H-H2O]+ 358.14432 180.6
[M+HCOO]- 420.14526 203.4
[M+CH3COO]- 434.16091 201.3
[M+Na-2H]- 396.12173 192.5
[M]+ 375.14651 187.3
[M]- 375.14761 187.3
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.