CID 385992

Nsc677519

Structural Information

Molecular Formula
C9H12N4O3
SMILES
CCN1C(=O)C(=C(N(C1=O)CC=C)N)N=O
InChI
InChI=1S/C9H12N4O3/c1-3-5-13-7(10)6(11-16)8(14)12(4-2)9(13)15/h3H,1,4-5,10H2,2H3
InChIKey
JBKIRGSKRAXXRN-UHFFFAOYSA-N
Compound name
6-amino-3-ethyl-5-nitroso-1-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

224.09094 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09822 145.5
[M+Na]+ 247.08016 157.2
[M-H]- 223.08366 148.8
[M+NH4]+ 242.12476 161.9
[M+K]+ 263.05410 154.5
[M+H-H2O]+ 207.08820 137.8
[M+HCOO]- 269.08914 171.6
[M+CH3COO]- 283.10479 197.7
[M+Na-2H]- 245.06561 150.2
[M]+ 224.09039 149.2
[M]- 224.09149 149.2
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

patents stripe