CID 451826

114127-77-4

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N+]=[N-])O
InChI
InChI=1S/C11H15N5O4/c1-2-6-5-16(11(19)14-10(6)18)9-3-7(17)8(20-9)4-13-15-12/h5,7-9,17H,2-4H2,1H3,(H,14,18,19)/t7-,8+,9+/m0/s1
InChIKey
LDSKQPSOPNZMGN-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

281.1124 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.2
[M+Na]+ 304.10162 168.8
[M-H]- 280.10512 166.7
[M+NH4]+ 299.14622 173.8
[M+K]+ 320.07556 161.3
[M+H-H2O]+ 264.10966 157.1
[M+HCOO]- 326.11060 185.6
[M+CH3COO]- 340.12625 196.6
[M+Na-2H]- 302.08707 167.7
[M]+ 281.11185 158.7
[M]- 281.11295 158.7
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

patents stripe