CID 3011801

2h-pyrrolo[2,3-d]pyrimidin-2-one, 6-decyl-3-(2-deoxy-b-d-erythro-pentofuranosyl)-7-ethyl-3,7-dihydro-

Structural Information

Molecular Formula
C23H37N3O4
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2N1CC)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C23H37N3O4/c1-3-5-6-7-8-9-10-11-12-18-13-17-15-26(21-14-19(28)20(16-27)30-21)23(29)24-22(17)25(18)4-2/h13,15,19-21,27-28H,3-12,14,16H2,1-2H3/t19-,20+,21+/m0/s1
InChIKey
BRXPYCNPVJJGLQ-PWRODBHTSA-N
Compound name
6-decyl-7-ethyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.2784 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.28568 206.5
[M+Na]+ 442.26762 213.3
[M-H]- 418.27112 208.3
[M+NH4]+ 437.31222 215.5
[M+K]+ 458.24156 208.2
[M+H-H2O]+ 402.27566 197.8
[M+HCOO]- 464.27660 220.5
[M+CH3COO]- 478.29225 224.7
[M+Na-2H]- 440.25307 201.8
[M]+ 419.27785 213.3
[M]- 419.27895 213.3
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.