CID 3078700

122113-51-3

Structural Information

Molecular Formula
C11H14N4O
SMILES
CN1CC2=NC(=NC=C2C1=O)N3CCCC3
InChI
InChI=1S/C11H14N4O/c1-14-7-9-8(10(14)16)6-12-11(13-9)15-4-2-3-5-15/h6H,2-5,7H2,1H3
InChIKey
FFNNWPRCYPVLOF-UHFFFAOYSA-N
Compound name
6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.124036 150.1
[M+Na]+ 241.105978 159.1
[M-H]- 217.109484 152.7
[M+NH4]+ 236.150583 167.7
[M+K]+ 257.079918 155.9
[M+H-H2O]+ 201.114020 141.0
[M+HCOO]- 263.114961 167.6
[M+CH3COO]- 277.130611 161.9
[M+Na-2H]- 239.091426 151.3
[M]+ 218.11621142 148.2
[M]- 218.11730858 148.2
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

No patent data available for this compound.