CID 493494

Cf1397

Structural Information

Molecular Formula
C19H29N3O4
SMILES
CCCCCCCCC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C19H29N3O4/c1-2-3-4-5-6-7-8-14-9-13-11-22(19(25)21-18(13)20-14)17-10-15(24)16(12-23)26-17/h9,11,15-17,23-24H,2-8,10,12H2,1H3,(H,20,21,25)/t15-,16+,17+/m0/s1
InChIKey
VWIOSFQMSUJUQN-GVDBMIGSSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

363.21582 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22310 188.5
[M+Na]+ 386.20504 195.8
[M-H]- 362.20854 189.3
[M+NH4]+ 381.24964 198.8
[M+K]+ 402.17898 190.7
[M+H-H2O]+ 346.21308 180.5
[M+HCOO]- 408.21402 202.5
[M+CH3COO]- 422.22967 209.6
[M+Na-2H]- 384.19049 186.1
[M]+ 363.21527 191.9
[M]- 363.21637 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.