CID 66372538

1508208-26-1

Structural Information

Molecular Formula
C21H18N2O4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC4=NC(=CS4)C(=O)O
InChI
InChI=1S/C21H18N2O4S/c24-20(25)18-12-28-19(23-18)9-10-22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,22,26)(H,24,25)
InChIKey
NEYKGMWFAPTGND-UHFFFAOYSA-N
Compound name
2-[2-(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 191.0
[M+Na]+ 417.08794 201.2
[M+NH4]+ 412.13254 197.9
[M+K]+ 433.06188 196.7
[M-H]- 393.09144 193.7
[M+Na-2H]- 415.07339 195.0
[M]+ 394.09817 193.4
[M]- 394.09927 193.4
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.