CID 66380227

1518885-04-5

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]+ 395.105996 192.3
[M+Na]+ 417.087938 199.0
[M-H]- 393.091444 199.0
[M+NH4]+ 412.132543 207.2
[M+K]+ 433.061878 194.9
[M+H-H2O]+ 377.095980 186.1
[M+HCOO]- 439.096921 207.0
[M+CH3COO]- 453.112571 201.9
[M+Na-2H]- 415.073386 190.9
[M]+ 394.09817142 197.5
[M]- 394.09926858 197.5
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.