CID 131429753

2091385-54-3

Structural Information

Molecular Formula
C23H22N2O4S
SMILES
CC1=C(SC(=N1)CCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H22N2O4S/c1-14-21(22(26)27)30-20(25-14)11-6-12-24-23(28)29-13-19-17-9-4-2-7-15(17)16-8-3-5-10-18(16)19/h2-5,7-10,19H,6,11-13H2,1H3,(H,24,28)(H,26,27)
InChIKey
KMTABVSTVHQKOU-UHFFFAOYSA-N
Compound name
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.13004 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.137316 201.1
[M+Na]+ 445.119258 208.0
[M-H]- 421.122764 207.6
[M+NH4]+ 440.163863 215.2
[M+K]+ 461.093198 202.9
[M+H-H2O]+ 405.127300 194.5
[M+HCOO]- 467.128241 216.0
[M+CH3COO]- 481.143891 224.6
[M+Na-2H]- 443.104706 199.0
[M]+ 422.12949142 207.8
[M]- 422.13058858 207.8
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.