CID 3078651

122113-15-9

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1CCCN(C1)C2=NC=C3CC(=O)N(C3=N2)C
InChI
InChI=1S/C13H18N4O/c1-9-4-3-5-17(8-9)13-14-7-10-6-11(18)16(2)12(10)15-13/h7,9H,3-6,8H2,1-2H3
InChIKey
NCMNHCLGECTETI-UHFFFAOYSA-N
Compound name
7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 160.3
[M+Na]+ 269.13728 168.6
[M-H]- 245.14078 162.2
[M+NH4]+ 264.18188 175.1
[M+K]+ 285.11122 164.3
[M+H-H2O]+ 229.14532 150.4
[M+HCOO]- 291.14626 174.7
[M+CH3COO]- 305.16191 170.8
[M+Na-2H]- 267.12273 161.6
[M]+ 246.14751 157.1
[M]- 246.14861 157.1
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.