CID 11552298

Chembl3143789

Structural Information

Molecular Formula
C19H29N3O4
SMILES
CCCCCCCCC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C19H29N3O4/c1-2-3-4-5-6-7-8-9-10-14-12-22(19(25)21-18(14)20)17-11-15(24)16(13-23)26-17/h12,15-17,23-24H,2-8,11,13H2,1H3,(H2,20,21,25)/t15-,16+,17+/m0/s1
InChIKey
GWAFUMQNESAOOJ-GVDBMIGSSA-N
Compound name
4-amino-5-dec-1-ynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.21582 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22310 184.2
[M+Na]+ 386.20504 191.5
[M-H]- 362.20854 183.0
[M+NH4]+ 381.24964 191.7
[M+K]+ 402.17898 186.2
[M+H-H2O]+ 346.21308 169.2
[M+HCOO]- 408.21402 194.2
[M+CH3COO]- 422.22967 218.2
[M+Na-2H]- 384.19049 180.7
[M]+ 363.21527 179.4
[M]- 363.21637 179.4
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.