CID 419595

1h,2h,3h,4h,5h,6h,7h-pyrrolo[3,4-d]pyrimidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1C2=C(CN1)NC(=O)NC2=O
InChI
InChI=1S/C6H7N3O2/c10-5-3-1-7-2-4(3)8-6(11)9-5/h7H,1-2H2,(H2,8,9,10,11)
InChIKey
CIEMJESBAAGKOO-UHFFFAOYSA-N
Compound name
1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.05383 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 128.9
[M+Na]+ 176.04305 139.1
[M-H]- 152.04655 126.1
[M+NH4]+ 171.08765 147.0
[M+K]+ 192.01699 134.3
[M+H-H2O]+ 136.05109 122.5
[M+HCOO]- 198.05203 146.0
[M+CH3COO]- 212.06768 141.1
[M+Na-2H]- 174.02850 135.2
[M]+ 153.05328 124.2
[M]- 153.05438 124.2
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