CID 132350985

2137785-49-8

Structural Information

Molecular Formula
C23H20N2O4S
SMILES
C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=NC(=CS5)C(=O)O
InChI
InChI=1S/C23H20N2O4S/c26-22(27)19-13-30-21(24-19)20-10-5-11-25(20)23(28)29-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,13,18,20H,5,10-12H2,(H,26,27)
InChIKey
KSLNOXVCFIIJDR-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11438 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12166 200.1
[M+Na]+ 443.10360 207.5
[M-H]- 419.10710 209.3
[M+NH4]+ 438.14820 214.8
[M+K]+ 459.07754 203.2
[M+H-H2O]+ 403.11164 194.4
[M+HCOO]- 465.11258 212.7
[M+CH3COO]- 479.12823 209.5
[M+Na-2H]- 441.08905 194.3
[M]+ 420.11383 204.2
[M]- 420.11493 204.2
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.