CID 475382

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

Structural Information

Molecular Formula
C15H23N5O5
SMILES
CCCCCOCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C15H23N5O5/c1-2-3-4-5-24-9-10-7-20(15(23)17-14(10)22)13-6-11(18-19-16)12(8-21)25-13/h7,11-13,21H,2-6,8-9H2,1H3,(H,17,22,23)/t11-,12+,13+/m0/s1
InChIKey
CRVLLUFUKPXTQR-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(pentoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.16992 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17720 181.6
[M+Na]+ 376.15914 187.0
[M-H]- 352.16264 186.4
[M+NH4]+ 371.20374 191.0
[M+K]+ 392.13308 179.3
[M+H-H2O]+ 336.16718 176.4
[M+HCOO]- 398.16812 204.7
[M+CH3COO]- 412.18377 211.0
[M+Na-2H]- 374.14459 186.4
[M]+ 353.16937 181.7
[M]- 353.17047 181.7
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.