CID 475383

1-(4-azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-hexyloxymethyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C16H25N5O5
SMILES
CCCCCCOCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C16H25N5O5/c1-2-3-4-5-6-25-10-11-8-21(16(24)18-15(11)23)14-7-12(19-20-17)13(9-22)26-14/h8,12-14,22H,2-7,9-10H2,1H3,(H,18,23,24)/t12-,13+,14+/m0/s1
InChIKey
JEQUYAYLQDAGKN-BFHYXJOUSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(hexoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.18558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19286 186.1
[M+Na]+ 390.17480 191.1
[M-H]- 366.17830 190.7
[M+NH4]+ 385.21940 195.0
[M+K]+ 406.14874 183.2
[M+H-H2O]+ 350.18284 180.7
[M+HCOO]- 412.18378 208.8
[M+CH3COO]- 426.19943 214.0
[M+Na-2H]- 388.16025 190.4
[M]+ 367.18503 186.5
[M]- 367.18613 186.5
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.