CID 137935985

2253639-50-6

Structural Information

Molecular Formula
C24H22N2O4S
SMILES
C1CN(CC1CC2=NC(=CS2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H22N2O4S/c27-23(28)21-14-31-22(25-21)11-15-9-10-26(12-15)24(29)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,27,28)
InChIKey
PGCUJISRMZCMEY-UHFFFAOYSA-N
Compound name
2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.13004 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13732 204.3
[M+Na]+ 457.11926 211.2
[M-H]- 433.12276 213.3
[M+NH4]+ 452.16386 218.4
[M+K]+ 473.09320 206.7
[M+H-H2O]+ 417.12730 198.5
[M+HCOO]- 479.12824 216.5
[M+CH3COO]- 493.14389 213.2
[M+Na-2H]- 455.10471 198.0
[M]+ 434.12949 208.6
[M]- 434.13059 208.6
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.