CID 132398885

2172066-77-0

Structural Information

Molecular Formula
C23H21N3O4S
SMILES
C1CN(CCN1C2=NC(=CS2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H21N3O4S/c27-21(28)20-14-31-22(24-20)25-9-11-26(12-10-25)23(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,27,28)
InChIKey
RZRPHIDKOMOLEK-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.12527 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.13255 201.2
[M+Na]+ 458.11449 207.4
[M-H]- 434.11799 207.8
[M+NH4]+ 453.15909 211.6
[M+K]+ 474.08843 202.3
[M+H-H2O]+ 418.12253 193.1
[M+HCOO]- 480.12347 209.9
[M+CH3COO]- 494.13912 208.8
[M+Na-2H]- 456.09994 197.3
[M]+ 435.12472 202.9
[M]- 435.12582 202.9
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.