CID 395083

Nsc699345

Structural Information

Molecular Formula
C13H18N6O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)COC(N3O)CCN=[N+]=[N-]
InChI
InChI=1S/C13H18N6O5/c1-7-5-18(13(21)16-12(7)20)11-4-8-9(24-11)6-23-10(19(8)22)2-3-15-17-14/h5,8-11,22H,2-4,6H2,1H3,(H,16,20,21)/t8-,9-,10?,11-/m1/s1
InChIKey
OSSRDMNCDDPRHT-JHOLWCCGSA-N
Compound name
1-[(4aS,6R,7aR)-2-(2-azidoethyl)-1-hydroxy-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.13388 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14116 177.4
[M+Na]+ 361.12310 184.0
[M-H]- 337.12660 182.6
[M+NH4]+ 356.16770 185.7
[M+K]+ 377.09704 176.9
[M+H-H2O]+ 321.13114 172.2
[M+HCOO]- 383.13208 195.6
[M+CH3COO]- 397.14773 208.4
[M+Na-2H]- 359.10855 184.0
[M]+ 338.13333 174.5
[M]- 338.13443 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.