CID 3078701

122113-52-4

Structural Information

Molecular Formula
C12H16N4O
SMILES
CN1CC2=NC(=NC=C2C1=O)N3CCCCC3
InChI
InChI=1S/C12H16N4O/c1-15-8-10-9(11(15)17)7-13-12(14-10)16-5-3-2-4-6-16/h7H,2-6,8H2,1H3
InChIKey
YMJJMENUYBRBET-UHFFFAOYSA-N
Compound name
6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

232.13242 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 155.3
[M+Na]+ 255.12164 163.1
[M-H]- 231.12514 157.0
[M+NH4]+ 250.16624 170.4
[M+K]+ 271.09558 159.0
[M+H-H2O]+ 215.12968 145.3
[M+HCOO]- 277.13062 170.1
[M+CH3COO]- 291.14627 165.8
[M+Na-2H]- 253.10709 157.8
[M]+ 232.13187 151.4
[M]- 232.13297 151.4
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.