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]+ 421.121656 200.1
[M+Na]+ 443.103598 207.5
[M-H]- 419.107104 209.3
[M+NH4]+ 438.148203 214.8
[M+K]+ 459.077538 203.2
[M+H-H2O]+ 403.111640 194.4
[M+HCOO]- 465.112581 212.7
[M+CH3COO]- 479.128231 209.5
[M+Na-2H]- 441.089046 194.3
[M]+ 420.11383142 204.2
[M]- 420.11492858 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.