CID 167724441

3-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-3,3-difluoropropanoic acid

Structural Information

Molecular Formula
C23H23F2NO4
SMILES
C1CN(CCC1C(CC(=O)O)(F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H23F2NO4/c24-23(25,13-21(27)28)15-9-11-26(12-10-15)22(29)30-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,27,28)
InChIKey
LDQAGAKJJAXHRN-UHFFFAOYSA-N
Compound name
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-3,3-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.15952 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.16680 198.3
[M+Na]+ 438.14874 202.5
[M-H]- 414.15224 200.2
[M+NH4]+ 433.19334 209.6
[M+K]+ 454.12268 197.2
[M+H-H2O]+ 398.15678 188.3
[M+HCOO]- 460.15772 207.8
[M+CH3COO]- 474.17337 221.8
[M+Na-2H]- 436.13419 197.1
[M]+ 415.15897 194.5
[M]- 415.16007 194.5
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.