CID 11710285

917598-40-4

Structural Information

Molecular Formula
C16H21N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3CCCC3)N=[N+]=[N-]
InChI
InChI=1S/C16H21N5O5/c1-9-7-21(16(24)18-14(9)22)13-6-11(19-20-17)12(26-13)8-25-15(23)10-4-2-3-5-10/h7,10-13H,2-6,8H2,1H3,(H,18,22,24)/t11-,12+,13+/m0/s1
InChIKey
QTUOHVJFNVCSQK-YNEHKIRRSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl cyclopentanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.15427 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16155 183.3
[M+Na]+ 386.14349 187.4
[M-H]- 362.14699 192.6
[M+NH4]+ 381.18809 194.0
[M+K]+ 402.11743 180.6
[M+H-H2O]+ 346.15153 178.4
[M+HCOO]- 408.15247 205.9
[M+CH3COO]- 422.16812 212.5
[M+Na-2H]- 384.12894 185.2
[M]+ 363.15372 179.6
[M]- 363.15482 179.6
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.