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 197.1
[M+Na]+ 431.10360 204.1
[M-H]- 407.10710 203.9
[M+NH4]+ 426.14820 211.7
[M+K]+ 447.07754 199.8
[M+H-H2O]+ 391.11164 191.0
[M+HCOO]- 453.11258 211.3
[M+CH3COO]- 467.12823 222.7
[M+Na-2H]- 429.08905 194.6
[M]+ 408.11383 203.0
[M]- 408.11493 203.0
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.