CID 132350967

2137787-63-2

Structural Information

Molecular Formula
C22H20N2O4S
SMILES
CC1=C(SC(=N1)C(C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H20N2O4S/c1-12-19(21(25)26)29-20(23-12)13(2)24-22(27)28-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKey
UVWNHNRXQAIGOU-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.11438 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12166 195.0
[M+Na]+ 431.10360 205.0
[M+NH4]+ 426.14820 201.6
[M+K]+ 447.07754 201.3
[M-H]- 407.10710 197.6
[M+Na-2H]- 429.08905 198.3
[M]+ 408.11383 197.3
[M]- 408.11493 197.3
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.