CID 132343743

2138144-26-8

Structural Information

Molecular Formula
C21H18N2O4S
SMILES
CC(C1=NC=C(S1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H18N2O4S/c1-12(19-22-10-18(28-19)20(24)25)23-21(26)27-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,12,17H,11H2,1H3,(H,23,26)(H,24,25)
InChIKey
DIDRLMVZQMQIIX-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-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 192.3
[M+Na]+ 417.08794 199.0
[M-H]- 393.09144 199.0
[M+NH4]+ 412.13254 207.2
[M+K]+ 433.06188 194.9
[M+H-H2O]+ 377.09598 186.1
[M+HCOO]- 439.09692 207.0
[M+CH3COO]- 453.11257 201.9
[M+Na-2H]- 415.07339 190.9
[M]+ 394.09817 197.5
[M]- 394.09927 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.