CID 217954

39945-20-5

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CN1C(=O)C2=C(NC=C2)N(C1=O)CC=C
InChI
InChI=1S/C10H11N3O2/c1-3-6-13-8-7(4-5-11-8)9(14)12(2)10(13)15/h3-5,11H,1,6H2,2H3
InChIKey
NNLOJHRZMJTYOU-UHFFFAOYSA-N
Compound name
3-methyl-1-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 143.2
[M+Na]+ 228.07435 157.2
[M+NH4]+ 223.11895 149.4
[M+K]+ 244.04829 153.1
[M-H]- 204.07785 142.4
[M+Na-2H]- 226.05980 147.8
[M]+ 205.08458 144.7
[M]- 205.08568 144.7
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.