CID 475381

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

Structural Information

Molecular Formula
C14H21N5O5
SMILES
CCCCOCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C14H21N5O5/c1-2-3-4-23-8-9-6-19(14(22)16-13(9)21)12-5-10(17-18-15)11(7-20)24-12/h6,10-12,20H,2-5,7-8H2,1H3,(H,16,21,22)/t10-,11+,12+/m0/s1
InChIKey
SWORWLJDHPJZPD-QJPTWQEYSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(butoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.15427 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16155 177.0
[M+Na]+ 362.14349 183.0
[M-H]- 338.14699 182.0
[M+NH4]+ 357.18809 187.1
[M+K]+ 378.11743 175.5
[M+H-H2O]+ 322.15153 172.1
[M+HCOO]- 384.15247 200.5
[M+CH3COO]- 398.16812 208.0
[M+Na-2H]- 360.12894 182.4
[M]+ 339.15372 176.8
[M]- 339.15482 176.8
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.