CID 3011800

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

Structural Information

Molecular Formula
C22H35N3O4
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2N1C)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C22H35N3O4/c1-3-4-5-6-7-8-9-10-11-17-12-16-14-25(22(28)23-21(16)24(17)2)20-13-18(27)19(15-26)29-20/h12,14,18-20,26-27H,3-11,13,15H2,1-2H3/t18-,19+,20+/m0/s1
InChIKey
LVXHJDJRHKGAQB-XUVXKRRUSA-N
Compound name
6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methylpyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.26276 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.27004 202.2
[M+Na]+ 428.25198 209.5
[M-H]- 404.25548 204.1
[M+NH4]+ 423.29658 211.7
[M+K]+ 444.22592 204.5
[M+H-H2O]+ 388.26002 193.7
[M+HCOO]- 450.26096 216.5
[M+CH3COO]- 464.27661 221.8
[M+Na-2H]- 426.23743 197.9
[M]+ 405.26221 208.7
[M]- 405.26331 208.7
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.