CID 3011802

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

Structural Information

Molecular Formula
C24H39N3O4
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2N1CCC)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C24H39N3O4/c1-3-5-6-7-8-9-10-11-12-19-14-18-16-27(22-15-20(29)21(17-28)31-22)24(30)25-23(18)26(19)13-4-2/h14,16,20-22,28-29H,3-13,15,17H2,1-2H3/t20-,21+,22+/m0/s1
InChIKey
DSJPILLKAZURPO-BHDDXSALSA-N
Compound name
6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-propylpyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.29407 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.30135 210.9
[M+Na]+ 456.28329 217.2
[M-H]- 432.28679 212.4
[M+NH4]+ 451.32789 219.2
[M+K]+ 472.25723 211.8
[M+H-H2O]+ 416.29133 202.0
[M+HCOO]- 478.29227 224.5
[M+CH3COO]- 492.30792 227.6
[M+Na-2H]- 454.26874 205.6
[M]+ 433.29352 218.0
[M]- 433.29462 218.0
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.