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 202.3
[M+Na]+ 457.11926 208.1
[M-H]- 433.12276 210.0
[M+NH4]+ 452.16386 214.2
[M+K]+ 473.09320 203.0
[M+H-H2O]+ 417.12730 194.8
[M+HCOO]- 479.12824 212.0
[M+CH3COO]- 493.14389 210.3
[M+Na-2H]- 455.10471 198.0
[M]+ 434.12949 203.9
[M]- 434.13059 203.9
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.