CID 66380227

2-[1-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C21H18N2O4S
SMILES
CC(C1=NC(=CS1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H18N2O4S/c1-12(19-23-18(11-28-19)20(24)25)22-21(26)27-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,11-12,17H,10H2,1H3,(H,22,26)(H,24,25)
InChIKey
WZRZALGUGRHPEX-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.09872 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10600 190.2
[M+Na]+ 417.08794 200.0
[M+NH4]+ 412.13254 197.0
[M+K]+ 433.06188 196.4
[M-H]- 393.09144 192.7
[M+Na-2H]- 415.07339 194.0
[M]+ 394.09817 192.5
[M]- 394.09927 192.5
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.