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

literature stripe

Patent stripe

patents stripe