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]+ 436.132546 201.2
[M+Na]+ 458.114488 207.4
[M-H]- 434.117994 207.8
[M+NH4]+ 453.159093 211.6
[M+K]+ 474.088428 202.3
[M+H-H2O]+ 418.122530 193.1
[M+HCOO]- 480.123471 209.9
[M+CH3COO]- 494.139121 208.8
[M+Na-2H]- 456.099936 197.3
[M]+ 435.12472142 202.9
[M]- 435.12581858 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.