CID 135434459

2-[3-(9h-fluoren-9-ylmethoxycarbonylamino)-2-thienyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C24H17N3O6S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=C(SC=C4)C5=NC(=C(C(=O)N5)O)C(=O)O
InChI
InChI=1S/C24H17N3O6S/c28-19-18(23(30)31)26-21(27-22(19)29)20-17(9-10-34-20)25-24(32)33-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,28H,11H2,(H,25,32)(H,30,31)(H,26,27,29)
InChIKey
ISDKSIPELFPFKX-UHFFFAOYSA-N
Compound name
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)thiophen-2-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.0838 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.09108 206.2
[M+Na]+ 498.07302 213.8
[M-H]- 474.07652 213.2
[M+NH4]+ 493.11762 214.9
[M+K]+ 514.04696 208.3
[M+H-H2O]+ 458.08106 199.5
[M+HCOO]- 520.08200 218.3
[M+CH3COO]- 534.09765 214.1
[M+Na-2H]- 496.05847 205.1
[M]+ 475.08325 210.8
[M]- 475.08435 210.8
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.