CID 3011803

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

Structural Information

Molecular Formula
C25H41N3O4
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2N1CCCC)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C25H41N3O4/c1-3-5-7-8-9-10-11-12-13-20-15-19-17-28(23-16-21(30)22(18-29)32-23)25(31)26-24(19)27(20)14-6-4-2/h15,17,21-23,29-30H,3-14,16,18H2,1-2H3/t21-,22+,23+/m0/s1
InChIKey
HSQJPWWDQFVQTK-YTFSRNRJSA-N
Compound name
7-butyl-6-decyl-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

447.3097 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.31698 215.2
[M+Na]+ 470.29892 221.0
[M-H]- 446.30242 216.5
[M+NH4]+ 465.34352 222.9
[M+K]+ 486.27286 215.5
[M+H-H2O]+ 430.30696 206.1
[M+HCOO]- 492.30790 228.5
[M+CH3COO]- 506.32355 230.5
[M+Na-2H]- 468.28437 209.4
[M]+ 447.30915 222.6
[M]- 447.31025 222.6
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.