CID 493473

Cf1676

Structural Information

Molecular Formula
C20H30N2O5
SMILES
CCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C20H30N2O5/c1-2-3-4-5-6-7-8-9-15-10-14-12-22(20(25)21-19(14)26-15)18-11-16(24)17(13-23)27-18/h10,12,16-18,23-24H,2-9,11,13H2,1H3/t16-,17+,18+/m0/s1
InChIKey
GMMKCINBVUPREM-RCCFBDPRSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-nonylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

378.21548 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.22276 191.8
[M+Na]+ 401.20470 199.2
[M-H]- 377.20820 195.7
[M+NH4]+ 396.24930 202.2
[M+K]+ 417.17864 196.2
[M+H-H2O]+ 361.21274 184.5
[M+HCOO]- 423.21368 207.5
[M+CH3COO]- 437.22933 214.5
[M+Na-2H]- 399.19015 190.2
[M]+ 378.21493 198.8
[M]- 378.21603 198.8
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.