CID 132350997

2137672-29-6

Structural Information

Molecular Formula
C24H22N2O4S
SMILES
C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=NC=C(S5)C(=O)O
InChI
InChI=1S/C24H22N2O4S/c27-23(28)21-12-25-22(31-21)15-6-5-11-26(13-15)24(29)30-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,12,15,20H,5-6,11,13-14H2,(H,27,28)
InChIKey
JSYLYCZLTIXQGM-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.13004 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13732 200.1
[M+Na]+ 457.11926 211.5
[M+NH4]+ 452.16386 207.3
[M+K]+ 473.09320 206.7
[M-H]- 433.12276 204.2
[M+Na-2H]- 455.10471 204.7
[M]+ 434.12949 203.2
[M]- 434.13059 203.2
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.