CID 3003710

Chembl64147

Structural Information

Molecular Formula
C11H15N5O4
SMILES
C=C(C1=CN(C(=O)NC1=O)CCC(CO)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H15N5O4/c1-7(14-15-12)9-4-16(11(20)13-10(9)19)3-2-8(5-17)6-18/h4,8,17-18H,1-3,5-6H2,(H,13,19,20)
InChIKey
FSGIPDYNBSXLMK-UHFFFAOYSA-N
Compound name
5-(1-azidoethenyl)-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

281.1124 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 159.2
[M+Na]+ 304.10162 165.5
[M-H]- 280.10512 159.3
[M+NH4]+ 299.14622 170.5
[M+K]+ 320.07556 157.0
[M+H-H2O]+ 264.10966 155.5
[M+HCOO]- 326.11060 182.2
[M+CH3COO]- 340.12625 195.4
[M+Na-2H]- 302.08707 165.3
[M]+ 281.11185 156.2
[M]- 281.11295 156.2
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.