CID 132372789

2171888-29-0

Structural Information

Molecular Formula
C25H24N2O4S
SMILES
C1CN(CCC1C2=NC(=CS2)CC(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H24N2O4S/c28-23(29)13-17-15-32-24(26-17)16-9-11-27(12-10-16)25(30)31-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,15-16,22H,9-14H2,(H,28,29)
InChIKey
MXICUZXWBWVTLU-UHFFFAOYSA-N
Compound name
2-[2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1457 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.15298 204.4
[M+Na]+ 471.13492 215.5
[M+NH4]+ 466.17952 211.4
[M+K]+ 487.10886 210.5
[M-H]- 447.13842 208.4
[M+Na-2H]- 469.12037 208.7
[M]+ 448.14515 207.4
[M]- 448.14625 207.4
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.