CID 3078653

122113-16-0

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C13H18N4O/c1-9-3-5-17(6-4-9)13-14-8-10-7-11(18)16(2)12(10)15-13/h8-9H,3-7H2,1-2H3
InChIKey
AGGYNCIBOQZOLI-UHFFFAOYSA-N
Compound name
7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

246.14806 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 159.3
[M+Na]+ 269.13728 171.9
[M+NH4]+ 264.18188 166.7
[M+K]+ 285.11122 167.2
[M-H]- 245.14078 161.0
[M+Na-2H]- 267.12273 163.7
[M]+ 246.14751 161.3
[M]- 246.14861 161.3
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