CID 217950

39930-52-4

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CN1C=CC2=C1N(C(=O)N(C2=O)C)CC=C
InChI
InChI=1S/C11H13N3O2/c1-4-6-14-9-8(5-7-12(9)2)10(15)13(3)11(14)16/h4-5,7H,1,6H2,2-3H3
InChIKey
GOVYZRGDYZGPQG-UHFFFAOYSA-N
Compound name
3,7-dimethyl-1-prop-2-enylpyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 145.2
[M+Na]+ 242.08999 159.5
[M-H]- 218.09349 147.5
[M+NH4]+ 237.13459 163.7
[M+K]+ 258.06393 155.0
[M+H-H2O]+ 202.09803 138.1
[M+HCOO]- 264.09897 168.1
[M+CH3COO]- 278.11462 190.3
[M+Na-2H]- 240.07544 150.1
[M]+ 219.10022 151.0
[M]- 219.10132 151.0
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.